名称: 5α-androst-2-en-11one 17β-carboxylic acid
SMILES:
C[C@]12CC=CC[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
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
4.08
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
87.77
Supplementary Information
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