Name: 2-amino-3-(4,6-bis(trifluoromethyl)-2H-benzotriazol-2-yl)-2-methylpropionitrile
SMILES:
CC(N)(C#N)Cn1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2n1Molecular Processing
Molecular formula
C12H9F6N5
Molecular weight
337.23
Exact mass
337.0762
XLogP
2.71
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
65.74
Supplementary Information
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