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C22H24N3O 3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol | Chemryt

3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol

Molecular Formula : C22H24N3O | Mutagenic : none | Tumorigenic : high | Reproductive Effective : |

MolName : 3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol

MolecularFormula : C22H24N3O

Smiles : Oc1cc(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)ccc1

InChI : InChI=1S/C22H23N3O/c26-21-9-3-5-18(15-21)16-23-25-13-11-24(12-14-25)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16,26H,11-14,17H2/p+1

InChIK : HFYHXGPEAQCWAB-UHFFFAOYSA-O

TotalMolweight : 346.453

Molweight : 346.453

MonoisotopicMass : 346.191937

CLogP : 1.758

CLogS : -3.966

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 288.67

Relative PSA : 0.15849

PolarSurfaceArea : 40.27

Druglikeness : 3.6865

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 : 8

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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