Name: 6-chloro-17-hydroxy-1α,2α-methylene-pregna-4,6-diene-3,20-dione acetate
SMILES:
CC(=O)O.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
C24H31ClO5
Molecular weight
434.96
Exact mass
434.186
XLogP
4.13
TPSA
91.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
30
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.708
Molar refractivity
112.72
Supplementary Information
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