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C22H23N3Br | Cheminformatics
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(Z)-1-(4-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C22H23N3Br | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(Z)-1-(4-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

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

MolecularFormula : C22H23N3Br

Smiles : Brc1ccc(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1

InChI : InChI=1S/C22H22BrN3/c23-21-10-8-18(9-11-21)16-24-26-14-12-25(13-15-26)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/p+1

InChIK : CAHYNSWKLJCIOM-UHFFFAOYSA-O

TotalMolweight : 409.35

Molweight : 409.35

MonoisotopicMass : 408.107533

CLogP : 2.8289

CLogS : -5.096

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 300.95

Relative PSA : 0.10849

PolarSurfaceArea : 20.04

Druglikeness : 2.0598

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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