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C22H23N3F | Cheminformatics

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

Molecular Formula : C22H23N3F | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C22H23N3F

Smiles : Fc1cc(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)ccc1

InChI : InChI=1S/C22H22FN3/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 : YRWYPYMTJDCMDF-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 :

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