The Trestolone with the cas number 3764-87-2 is also called 17b-Hydroxy-7a-methylestr-4-en-3-one. The systematic name is (7alpha)-17-hydroxy-7-methylestr-4-en-3-one. Its molecular formula is C19H28O2. It is androgens and assimilation hormonal drugs.
The properties of the chemical are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.69; (6)ACD/BCF (pH 7.4): 263.69; (7)ACD/KOC (pH 5.5): 1882; (8)ACD/KOC (pH 7.4): 1882; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 83.05 cm3; (15)Molar Volume: 257.7 cm3; (16)Polarizability: 32.92×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 80.38 kJ/mol; (19)Vapour Pressure: 1.44×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/C(C2CCC1(C(CCC1O)C2[C@H](C)C3)C)CC4
(2)InChI: InChI=1/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14?,15?,16?,17?,18?,19?/m1/s1
(3)InChIKey: YSGQGNQWBLYHPE-BRIGUCEYBX
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