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C22H24N3 | Cheminformatics

(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenylmethanimine

Molecular Formula : C22H24N3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C22H24N3

Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1ccccc1

InChI : InChI=1S/C22H23N3/c1-2-7-19(8-3-1)17-23-25-15-13-24(14-16-25)18-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,17H,13-16,18H2/p+1

InChIK : JRRTXRPXBWINQL-UHFFFAOYSA-O

TotalMolweight : 330.454

Molweight : 330.454

MonoisotopicMass : 330.197022

CLogP : 2.1037

CLogS : -4.262

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 282.32

Relative PSA : 0.11565

PolarSurfaceArea : 20.04

Druglikeness : 3.8498

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 3

Electronegative Atoms : 3

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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