Name: 2β-bromo-17β-cyano-3α-hydroxy-5α-androstane
SMILES:
C[C@]12C[C@H](Br)[C@@H](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
C20H30BrNO
Molecular weight
380.37
Exact mass
379.1511
XLogP
4.9
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.95
Molar refractivity
94.93
Supplementary Information
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