Name: 4-[(2-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
SMILES:
CCCC(Br)CN(c1ccc(C#N)cc1)n1cnnc1Molecular Processing
Molecular formula
C14H16BrN5
Molecular weight
334.22
Exact mass
333.0589
XLogP
2.98
TPSA
57.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
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
0.357
Molar refractivity
81.55
Supplementary Information
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