Cc1ccc(C(=O)O)c(=O)n1-c1cccc(F)c1
Название: 1-(3-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILES: Cc1ccc(C(=O)O)c(=O)n1-c1cccc(F)c1

Molecular Processing

Molecular formula
C13H10FNO3
Molecular weight
247.22
Exact mass
247.0645
XLogP
1.98
TPSA
59.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
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
0.077
Molar refractivity
63.69

Supplementary Information

InChIKey: QQLOHHZGRLEHJZ-UHFFFAOYSA-N
Синонимы
SCHEMBL1259527QQLOHHZGRLEHJZ-UHFFFAOYSA-N1-(3-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
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