Name: 17β-cyano-5α-androstan-3-one
SMILES:
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@@H]12Molecular Processing
Molecular formula
C20H29NO
Molecular weight
299.46
Exact mass
299.2249
XLogP
4.74
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
85.84
Supplementary Information
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