이름: 4-[(4-Chloro-3-hydroxy-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
SMILES:
N#Cc1ccc(N(Cc2ccc(Cl)c(O)c2)n2cnnc2)cc1Molecular Processing
Molecular formula
C16H12ClN5O
Molecular weight
325.76
Exact mass
325.073
XLogP
2.98
TPSA
77.97
H-bond donors
1
H-bond acceptors
5
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
7
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
85.88
Supplementary Information
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