Name: 4-[(2-bromo-propyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
SMILES:
CC(Br)CN(c1ccc(C#N)cc1)n1cnnc1Molecular Processing
Molecular formula
C12H12BrN5
Molecular weight
306.17
Exact mass
305.0276
XLogP
2.2
TPSA
57.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
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
0.25
Molar refractivity
72.31
Supplementary Information
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Involved in 2 reactions→