이름: 3α-hydroxy-11-oxo-5α-androstane-17β-carboxylic acid
SMILES:
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)O)[C@@]3(C)CC(=O)[C@@H]12Molecular Processing
Molecular formula
C20H30O4
Molecular weight
334.46
Exact mass
334.2144
XLogP
3.27
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
89.25
Supplementary Information
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