Name: 6-chloro-17-hydroxy-1α,2α-methylene-4,6-pregnadiene-3,20-dione
SMILES:
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21CMolecular Processing
Molecular formula
C22H27ClO3
Molecular weight
374.91
Exact mass
374.1649
XLogP
4.04
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
26
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
99.41
Supplementary Information
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