Name: 3β-hydroxyandrostane-7,17-dione
SMILES:
C[C@]12CC[C@H](O)CC1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C19H28O3
Molecular weight
304.43
Exact mass
304.2038
XLogP
3.14
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.895
Molar refractivity
83.13
Supplementary Information
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