Name: 21-bromo-3β-hydroxypregna-5,16-dien-20-one
SMILES:
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)CBr)=CC[C@@H]12Molecular Processing
Molecular formula
C21H29BrO2
Molecular weight
393.37
Exact mass
392.1351
XLogP
4.81
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
99.98
Supplementary Information
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