Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C22H23N3Br | Cheminformatics
Menu

(Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C22H23N3Br | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

MolName : (Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

MolecularFormula : C22H23N3Br

Smiles : Brc1cc(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)ccc1

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

InChIK : QZWVNVNJWPVUKH-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 : 0.61538

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 : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine
2 - (Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (Z)-1-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments