CC(=O)CO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CCl
الاسم: 21-chloro-17-hydroxy-16α-(2-oxopropoxy)pregna-1,4,9(11)-triene-3,20-dione
SMILES: CC(=O)CO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CCl

Molecular Processing

Molecular formula
C24H29ClO5
Molecular weight
432.94
Exact mass
432.1704
XLogP
3.34
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
113.07

Supplementary Information

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