Name: 17α-acetoxy-6-chloro-1α,2α-methylene-4,6-pregnadiene-3,20-dione
SMILES:
CC(=O)O[C@]1(C(C)=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
C24H29ClO4
Molecular weight
416.95
Exact mass
416.1754
XLogP
4.61
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
108.95
Supplementary Information
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