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Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) CAS NO.16992-51-1
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Keywords
- Androsta-1,4-diene-3b,17b-diol (8CI)
- Androsta-1,4-diene-3b,17b-diol (8CI)
- Androsta-1,4-diene-3b,17b-diol (8CI)
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Superiority
Molecular Structure of Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) (CAS NO.16992-51-1):
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Empirical Formula: C14H13ClN4
Molecular Weight: 272.7328
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.2
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 5.5): 3.69
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 5.5): 64.36
ACD/KOC (pH 7.4): 193.61
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 32.89 Å2
Index of Refraction: 1.686
Molar Refractivity: 76.04 cm3
Molar Volume: 199.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.36 g/cm3
Flash Point: 265 °C
Enthalpy of Vaporization: 78.63 kJ/mol
Boiling Point: 514.6 °C at 760 mmHg
Vapour Pressure: 1.06E-10 mmHg at 25°C
Details
Molecular Structure of Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) (CAS NO.16992-51-1):
Empirical Formula: C14H13ClN4
Molecular Weight: 272.7328
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.2
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 5.5): 3.69
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 5.5): 64.36
ACD/KOC (pH 7.4): 193.61
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 32.89 Å2
Index of Refraction: 1.686
Molar Refractivity: 76.04 cm3
Molar Volume: 199.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.36 g/cm3
Flash Point: 265 °C
Enthalpy of Vaporization: 78.63 kJ/mol
Boiling Point: 514.6 °C at 760 mmHg
Vapour Pressure: 1.06E-10 mmHg at 25°C