Name: 2-amino-2-methyl-3-(5-methyl-2H-benzotriazol-2-yl)propionitrile
SMILES:
Cc1ccc2nn(CC(C)(N)C#N)nc2c1Molecular Processing
Molecular formula
C11H13N5
Molecular weight
215.26
Exact mass
215.1171
XLogP
0.98
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.47
Supplementary Information
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