CSC1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
名称: 9-fluoro-11β-hydroxy-17,17-bis(methylthio)androsta-1,4-diene-3-one
SMILES: CSC1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

Molecular Processing

Molecular formula
C21H29FO2S2
Molecular weight
396.59
Exact mass
396.1593
XLogP
4.78
TPSA
37.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
108.12

Supplementary Information

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