Name: 21-Chloro-17α-hydroxy-20-methoxypregna-4,9(11),20-trien-3-one
SMILES:
COC(=CCl)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21CMolecular Processing
Molecular formula
C22H29ClO3
Molecular weight
376.92
Exact mass
376.1805
XLogP
4.9
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
102.58
Supplementary Information
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Involved in 4 reactions→