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C22H22N3Cl2 | Cheminformatics
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(Z)-1-(2,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C22H22N3Cl2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(Z)-1-(2,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

MolName : (Z)-1-(2,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

MolecularFormula : C22H22N3Cl2

Smiles : Clc1cc(Cl)c(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1

InChI : InChI=1S/C22H21Cl2N3/c23-20-9-8-18(22(24)14-20)15-25-27-12-10-26(11-13-27)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15H,10-13,16H2/p+1

InChIK : BTDCURVEFHGWNU-UHFFFAOYSA-O

TotalMolweight : 399.344

Molweight : 399.344

MonoisotopicMass : 398.119076

CLogP : 3.3157

CLogS : -5.734

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 313.16

Relative PSA : 0.10426

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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2 - (Z)-1-(2,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine
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