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

C22H23N3F | Cheminformatics
Menu

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

Molecular Formula : C22H23N3F | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(Z)-1-(2-fluorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

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

MolecularFormula : C22H23N3F

Smiles : Fc1c(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)cccc1

InChI : InChI=1S/C22H22FN3/c23-22-11-4-2-7-19(22)16-24-26-14-12-25(13-15-26)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2/p+1

InChIK : XWTLQJOAIDMEFS-UHFFFAOYSA-O

TotalMolweight : 348.444

Molweight : 348.444

MonoisotopicMass : 348.1876

CLogP : 2.2045

CLogS : -4.576

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 288.67

Relative PSA : 0.1131

PolarSurfaceArea : 20.04

Druglikeness : 2.5098

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