ChemSpider 2D Image | (9S)-4-Methyl-13-azatetracyclo[7.7.0.0~1,6~.0~2,13~]hexadec-2-en-8-one | C16H23NO

(9S)-4-Methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one

  • Molecular FormulaC16H23NO
  • Average mass245.360 Da
  • Monoisotopic mass245.177963 Da
  • ChemSpider ID28285148
  • defined stereocentres - 1 of 4 defined stereocentres


More details:



Featured data source



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

(9S)-4-Methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-on [German] [ACD/IUPAC Name]
(9S)-4-Methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one [ACD/IUPAC Name]
(9S)-4-Méthyl-13-azatétracyclo[7.7.0.01,6.02,13]hexadéc-2-én-8-one [French] [ACD/IUPAC Name]
1,9b-Propano-5H-indeno[7,1-bc]azepin-5-one, 2,3,4,4a,6,6a,7,8-octahydro-8-methyl-, (4aS)- [ACD/Index Name]
(+)-fawcettidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 407.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 159.5±12.3 °C
Index of Refraction: 1.576
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 10.23
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 9.33
ACD/KOC (pH 7.4): 88.68
Polar Surface Area: 20 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 216.2±5.0 cm3

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