이름: N′-[(2-chlorophenyl)(4-chlorophenyl)methyl]piperazine
SMILES:
Clc1ccc(C(c2ccccc2Cl)N2CCNCC2)cc1Molecular Processing
Molecular formula
C17H18Cl2N2
Molecular weight
321.25
Exact mass
320.0847
XLogP
3.99
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
89.19
Supplementary Information
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