Name: 6α-cyanoandrostane-3,17-dione
SMILES:
C[C@]12CCC(=O)CC1[C@@H](C#N)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C20H27NO2
Molecular weight
313.44
Exact mass
313.2042
XLogP
3.92
TPSA
57.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
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
0.85
Molar refractivity
86.23
Supplementary Information
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