CCSC1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Name: 17-ethylthio-9-fluoro-11β-hydroxyandrosta-1,4,16-triene-3-one
SMILES: CCSC1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C

Molecular Processing

Molecular formula
C21H27FO2S
Molecular weight
362.51
Exact mass
362.1716
XLogP
4.6
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
99.95

Supplementary Information

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