ChemSpider 2D Image | (5Z)-6-Oxo-5-{[4-({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}carbamoyl)phenyl]hydrazono}-5,6-dihydro-2-naphthalenesulfonic acid | C29H21N5O8S2

(5Z)-6-Oxo-5-{[4-({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}carbamoyl)phenyl]hydrazono}-5,6-dihydro-2-naphthalenesulfonic acid

  • Molecular FormulaC29H21N5O8S2
  • Average mass631.636 Da
  • Monoisotopic mass631.083130 Da
  • ChemSpider ID4773048

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-6-Oxo-5-{[4-({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}carbamoyl)phenyl]hydrazono}-5,6-dihydro-2-naphthalenesulfonic acid [ACD/IUPAC Name]
(5Z)-6-Oxo-5-{[4-({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}carbamoyl)phenyl]hydrazono}-5,6-dihydro-2-naphthalinsulfonsäure [German] [ACD/IUPAC Name]
2-Naphthalenesulfonic acid, 5,6-dihydro-6-oxo-5-[2-[4-[[[4-[(E)-2-(4-sulfophenyl)diazenyl]phenyl]amino]carbonyl]phenyl]hydrazinylidene]-, (5Z)- [ACD/Index Name]
Acide (5Z)-6-oxo-5-{[4-({4-[(E)-(4-sulfophényl)diazényl]phényl}carbamoyl)phényl]hydrazono}-5,6-dihydro-2-naphtalènesulfonique [French] [ACD/IUPAC Name]

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

NSC79717 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 409.1±7.0 cm3

Click to predict properties on the Chemicalize site


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