الاسم: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonitrile
SMILES:
Cc1c(C#N)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C17H10Cl3N3
Molecular weight
362.65
Exact mass
360.994
XLogP
5.68
TPSA
41.61
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
93.48
Supplementary Information
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