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C18H20N3BrCl | Cheminformatics
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(Z)-1-(4-bromophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C18H20N3BrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-1-(4-bromophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

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

MolecularFormula : C18H20N3BrCl

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c(cc2)ccc2Br)cc1

InChI : InChI=1S/C18H19BrClN3/c19-17-5-1-15(2-6-17)13-21-23-11-9-22(10-12-23)14-16-3-7-18(20)8-4-16/h1-8,13H,9-12,14H2/p+1

InChIK : ZUJRXUYYSUMLSA-UHFFFAOYSA-O

TotalMolweight : 393.735

Molweight : 393.735

MonoisotopicMass : 392.05291

CLogP : 2.2405

CLogS : -4.226

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 281.77

Relative PSA : 0.11587

PolarSurfaceArea : 20.04

Druglikeness : 2.0511

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.73913

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 : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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