Name: 3-[4-(4-cyano-phenyl)-[1,2,3]triazol-1-ylmethyl]-benzoic acid
SMILES:
N#Cc1ccc(-c2cn(Cc3cccc(C(=O)O)c3)nn2)cc1Molecular Processing
Molecular formula
C17H12N4O2
Molecular weight
304.31
Exact mass
304.096
XLogP
2.56
TPSA
91.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
82.68
Supplementary Information
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