Name: alpha-n-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
SMILES:
CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C15H17ClN4
Molecular weight
288.78
Exact mass
288.1142
XLogP
3.58
TPSA
54.5
H-bond donors
0
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
78.29
Supplementary Information
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