ChemSpider 2D Image | [(2-{[(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}ethyl)sulfanyl]acetic acid | C14H15N3O7S

[(2-{[(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}ethyl)sulfanyl]acetic acid

  • Molecular FormulaC14H15N3O7S
  • Average mass369.350 Da
  • Monoisotopic mass369.063080 Da
  • ChemSpider ID53713583

More details:

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

[(2-{[(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}ethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-{[(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}ethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[2-(2,3-dihydro-6-nitro-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]thio]- [ACD/Index Name]
Acide [(2-{[2-(6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétyl]amino}éthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 244.8±3.0 cm3

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