Name: 4-(4-bromophenyl)-5-isopropyl-3-phenyl-4H-1,2,4-triazole
SMILES:
CC(C)c1nnc(-c2ccccc2)n1-c1ccc(Br)cc1Molecular Processing
Molecular formula
C17H16BrN3
Molecular weight
342.24
Exact mass
341.0528
XLogP
4.82
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
88.58
Supplementary Information
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