Nombre: 1-(4-fluorophenyl)-2-(4-pyrimidinyl)-ethanone
SMILES:
O=C(Cc1ccncn1)c1ccc(F)cc1Molecular Processing
Molecular formula
C12H9FN2O
Molecular weight
216.22
Exact mass
216.0699
XLogP
2.04
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
56.47
Supplementary Information
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