이름: 2-amino-3-(5-chloro-4,7-dimethyl-2H-benzotriazol-2-yl)-2-methylpropionitrile
SMILES:
Cc1cc(Cl)c(C)c2nn(CC(C)(N)C#N)nc12Molecular Processing
Molecular formula
C12H14ClN5
Molecular weight
263.73
Exact mass
263.0938
XLogP
1.94
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.22
Supplementary Information
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