C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12
Name: 6α-fluoroandrost-1,4,9(11)-triene-3,17-dione
SMILES: C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C19H21FO2
Molecular weight
300.37
Exact mass
300.1526
XLogP
3.73
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
81.88

Supplementary Information

Details werden geladen…

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