名称: 6α-carboxyandrostane-3,17-dione
SMILES:
C[C@]12CCC(=O)CC1[C@@H](C(=O)O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C20H28O4
Molecular weight
332.44
Exact mass
332.1988
XLogP
3.48
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
88.25
Supplementary Information
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