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C18H22N3 (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine

Molecular Formula : C18H22N3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine

MolecularFormula : C18H22N3

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

InChI : InChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/p+1

InChIK : UOBZLUUOGDBSRF-UHFFFAOYSA-O

TotalMolweight : 280.394

Molweight : 280.394

MonoisotopicMass : 280.181372

CLogP : 0.9093

CLogS : -2.656

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 247.72

Relative PSA : 0.1318

PolarSurfaceArea : 20.04

Druglikeness : 3.8498

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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