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C18H19N3Cl3 | Cheminformatics
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(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,6-dichlorophenyl)methanimine

Molecular Formula : C18H19N3Cl3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,6-dichlorophenyl)methanimine is a drug-like molecule.

MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,6-dichlorophenyl)methanimine

MolecularFormula : C18H19N3Cl3

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c(c(Cl)ccc2)c2Cl)cc1

InChI : InChI=1S/C18H18Cl3N3/c19-15-6-4-14(5-7-15)13-23-8-10-24(11-9-23)22-12-16-17(20)2-1-3-18(16)21/h1-7,12H,8-11,13H2/p+1

InChIK : SIIMDCXXSIOGSQ-UHFFFAOYSA-O

TotalMolweight : 383.729

Molweight : 383.729

MonoisotopicMass : 382.064453

CLogP : 2.7273

CLogS : -4.864

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 293.98

Relative PSA : 0.11106

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 7

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,6-dichlorophenyl)methanimine
2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,6-dichlorophenyl)methanimine
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