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Basic Information
CAS No.: 25824-80-0
Name: Androst-5-en-17-one
Article Data: 2
Molecular Structure:
Molecular Structure of 25824-80-0 (Androst-5-en-17-one)
Formula: C19H28O
Molecular Weight: 272.431
Synonyms: Androst-5-en-17-one;3-Deoxydehydroepiandrosterone;
Density: 1.05 g/cm3
Melting Point: 105-107 °C
Boiling Point: 383.3 °C at 760 mmHg
Flash Point: 163.7 °C
PSA: 17.07000
LogP: 4.90840
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Specification

The Androst-5-en-17-one with its cas register number is 25824-80-0. It also can be called as 3-Deoxydehydroepiandrosterone and the Systematic name about this chemical is androst-5-en-17-one.

Physical properties about Androst-5-en-17-one are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7225.57; (6)ACD/BCF (pH 7.4): 7225.57; (7)ACD/KOC (pH 5.5): 20126.65; (8)ACD/KOC (pH 7.4): 20126.65; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 81.6 cm3; (13)Molar Volume: 258.9 cm3; (14)Polarizability: 32.34x10-24cm3; (15)Surface Tension: 39.3 dyne/cm; (16)Enthalpy of Vaporization: 63.18 kJ/mol; (17)Vapour Pressure: 4.45E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2CC3)\CCCC4)C)C
(2)InChI: InChI=1/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h6,14-16H,3-5,7-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: AFGDPPHTYUQKOF-QAGGRKNEBH
(4)Std. InChI: InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h6,14-16H,3-5,7-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(5)Std. InChIKey: AFGDPPHTYUQKOF-QAGGRKNESA-N