Name: 6-(3-fluoro-phenyl)-2H-[1,2,4]triazin-3-one
SMILES:
O=c1ncc(-c2cccc(F)c2)n[nH]1Molecular Processing
Molecular formula
C9H6FN3O
Molecular weight
191.16
Exact mass
191.0495
XLogP
0.97
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.05
Supplementary Information
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