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C18H19N3Cl3 | Cheminformatics
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(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine

Molecular Formula : C18H19N3Cl3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine is a drug-like molecule.

MolName : (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine

MolecularFormula : C18H19N3Cl3

Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c(cc2)cc(Cl)c2Cl)cccc1

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

InChIK : QAIIMHSMRAHPMJ-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 : none

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 : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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1 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine
2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine
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