الاسم: 5-(5-(aminomethyl)-2-chlorophenyl)-2-(4-chloro-3-methylphenyl)-2H-1,2,4-triazol-3(4H)-one
SMILES:
Cc1cc(-n2nc(-c3cc(CN)ccc3Cl)[nH]c2=O)ccc1ClMolecular Processing
Molecular formula
C16H14Cl2N4O
Molecular weight
349.22
Exact mass
348.0545
XLogP
3.3
TPSA
76.7
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
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
92.27
Supplementary Information
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