ChemSpider 2D Image | (S)-4'-nitro-Blebbistatin | C18H15N3O4

(S)-4'-nitro-Blebbistatin

  • Molecular FormulaC18H15N3O4
  • Average mass337.329 Da
  • Monoisotopic mass337.106262 Da
  • ChemSpider ID68004131

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3aS)-3a-Hydroxy-6-methyl-1-(4-nitrophenyl)-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]chinolin-4-on [German] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-6-méthyl-1-(4-nitrophényl)-1,2,3,3a-tétrahydro-4H-pyrrolo[2,3-b]quinoléin-4-one [French] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-6-methyl-1-(4-nitrophenyl)-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one [ACD/IUPAC Name]
(S)-4'-nitro-Blebbistatin
1621326-32-6 [RN]
4H-Pyrrolo[2,3-b]quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-, (3aS)- [ACD/Index Name]
(3aS)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-4H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
para-Nitroblebbistatin
p-Nitroblebbistatin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 578.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.8±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.82
ACD/KOC (pH 5.5): 284.26
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.87
ACD/KOC (pH 7.4): 284.95
Polar Surface Area: 99 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 228.2±7.0 cm3

Click to predict properties on the Chemicalize site


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