名称: 6-bromo-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

SMILES: CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)C=CC34C)Br

Molecular Processing

Molecular formula

C19H23BrO2

Molecular weight

363.3

Exact mass

362.0881

XLogP

4.24

TPSA

34.14

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.684

Molar refractivity

89.72

Supplementary Information

InChIKey: HLVXZPIZCYODAB-UHFFFAOYSA-N

同義語

6-Bromo boldioneUDA53487