이름: 2-amino-3-(5-chloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
SMILES:
CC(N)(C#N)Cn1nc2ccc(Cl)cc2n1Molecular Processing
Molecular formula
C10H10ClN5
Molecular weight
235.68
Exact mass
235.0625
XLogP
1.33
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
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
60.74
Supplementary Information
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