Name: [5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-yl]methyl amine
SMILES:
NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1Molecular Processing
Molecular formula
C16H14Cl3N3
Molecular weight
354.67
Exact mass
353.0253
XLogP
4.91
TPSA
41.62
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
94.24
Supplementary Information
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