Название: 4-[3-(2-chloro-6-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzoic acid
SMILES:
O=C(O)c1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1Molecular Processing
Molecular formula
C15H9ClFN3O3
Molecular weight
333.71
Exact mass
333.0316
XLogP
2.72
TPSA
87.98
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.55
Supplementary Information
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