Name: (2α,3α,5α,17β)-2,3-epoxyandrostan-11-one-17-carbonitrile
SMILES:
C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C#N)[C@@]3(C)CC(=O)[C@@H]12Molecular Processing
Molecular formula
C20H27NO2
Molecular weight
313.44
Exact mass
313.2042
XLogP
3.73
TPSA
53.39
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
85.26
Supplementary Information
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