Nom: 5-methyl-2-(1H-1,2,4-triazol-1-yl)benzoic acid
SMILES:
Cc1ccc(-n2cncn2)c(C(=O)O)c1Molecular Processing
Molecular formula
C10H9N3O2
Molecular weight
203.2
Exact mass
203.0695
XLogP
1.27
TPSA
68.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
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
0.1
Molar refractivity
53.06
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→