C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12
Name: 6α-fluoro-11β-hydroxyandrosta-1,4-diene-3,17-dione
SMILES: C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C19H23FO3
Molecular weight
318.39
Exact mass
318.1631
XLogP
2.78
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
83.29

Supplementary Information

Details werden geladen…

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