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C22H23N3Cl | Cheminformatics

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine

Molecular Formula : C22H23N3Cl | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C22H23N3Cl

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cccc3ccccc23)cc1

InChI : InChI=1S/C22H22ClN3/c23-21-10-8-18(9-11-21)17-25-12-14-26(15-13-25)24-16-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/p+1

InChIK : OVDUAYZMRZEZGV-UHFFFAOYSA-O

TotalMolweight : 364.899

Molweight : 364.899

MonoisotopicMass : 364.158049

CLogP : 2.7097

CLogS : -4.998

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 297.74

Relative PSA : 0.10966

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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