ChemSpider 2D Image | miloxacin | C12H9NO6

miloxacin

  • Molecular FormulaC12H9NO6
  • Average mass263.203 Da
  • Monoisotopic mass263.042999 Da
  • ChemSpider ID34501

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Dioxolo[4,5-g]quinoline-7-carboxylic acid, 5,8-dihydro-5-methoxy-8-oxo- [ACD/Index Name]
37065-29-5 [RN]
5-Methoxy-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]chinolin-7-carbonsäure [German] [ACD/IUPAC Name]
5-Methoxy-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthoxy-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoléine-7-carboxylique [French] [ACD/IUPAC Name]
miloxacin [INN]
Miloxacine [French] [INN]
Miloxacino [Spanish] [INN]
Miloxacinum [Latin] [INN]
VM4W7043SN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4524 [DBID]
AB 206 [DBID]
AB-206 [DBID]
BRN 0553059 [DBID]
D02303 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 460.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 232.5±31.5 °C
    Index of Refraction: 1.689
    Molar Refractivity: 61.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 2.64
    ACD/KOC (pH 5.5): 68.27
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.18
    Polar Surface Area: 85 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 80.4±5.0 dyne/cm
    Molar Volume: 159.7±5.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  427.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  178.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.61E-008  (Modified Grain method)
    Subcooled liquid VP: 1.82E-006 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2872
       log Kow used: 1.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  660.09 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ketones-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.07E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.559E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.45  (KowWin est)
  Log Kaw used:  -14.431  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.881
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9656
   Biowin2 (Non-Linear Model)     :   0.9813
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8434  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9856  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6612
   Biowin6 (MITI Non-Linear Model):   0.5163
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5230
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000243 Pa (1.82E-006 mm Hg)
  Log Koa (Koawin est  ): 15.881
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0124 
       Octanol/air (Koa) model:  1.87E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.309 
       Mackay model           :  0.497 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.0986 E-12 cm3/molecule-sec
      Half-Life =     0.091 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.096 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.403 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 1.45 (estimated)

 Volatilization from Water:
    Henry LC:  9.07E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.047E+013  hours   (4.364E+011 days)
    Half-Life from Model Lake : 1.142E+014  hours   (4.76E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.05e-009       2.16         1000       
   Water     29.8            360          1000       
   Soil      70.2            720          1000       
   Sediment  0.069           3.24e+003    0          
     Persistence Time: 647 hr

    Click to predict properties on the Chemicalize site


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