Nombre: 1-(2,4-Dihydroxy-phenyl)-5-(4-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
SMILES:
O=C(O)c1nnn(-c2ccc(O)cc2O)c1-c1ccc(F)cc1Molecular Processing
Molecular formula
C15H10FN3O4
Molecular weight
315.26
Exact mass
315.0655
XLogP
2.18
TPSA
108.47
H-bond donors
3
H-bond acceptors
5
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
77.04
Supplementary Information
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