Название: 2β-bromo-3α-hydroxy-17β-methoxycarbonyl-5α-androstan-11-one
SMILES:
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12CMolecular Processing
Molecular formula
C21H31BrO4
Molecular weight
427.38
Exact mass
426.1406
XLogP
3.73
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
101.73
Supplementary Information
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