Name: 9-fluoro-11β-hydroxy-17-(methylthio)androsta-1,4,16-trien-3-one
SMILES:
CSC1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12CMolecular Processing
Molecular formula
C20H25FO2S
Molecular weight
348.48
Exact mass
348.1559
XLogP
4.21
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
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
0.65
Molar refractivity
95.34
Supplementary Information
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