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C18H20N3Cl2 | Cheminformatics
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(Z)-1-(3-chlorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C18H20N3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-1-(3-chlorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

MolName : (Z)-1-(3-chlorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C18H20N3Cl2

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cccc(Cl)c2)cc1

InChI : InChI=1S/C18H19Cl2N3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/p+1

InChIK : RUEXXMNYZXDMRT-UHFFFAOYSA-O

TotalMolweight : 349.284

Molweight : 349.284

MonoisotopicMass : 348.103426

CLogP : 2.1213

CLogS : -4.128

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 278.56

Relative PSA : 0.11721

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.69565

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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