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C25H28N3O (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenylmethoxyphenyl)methanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

Molecular Formula : C25H28N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C25H28N3O

Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c(cc1)ccc1OCc1ccccc1

InChI : InChI=1S/C25H27N3O/c1-3-7-23(8-4-1)20-27-15-17-28(18-16-27)26-19-22-11-13-25(14-12-22)29-21-24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2/p+1

InChIK : KVDVAWBLDPOQCG-UHFFFAOYSA-O

TotalMolweight : 386.517

Molweight : 386.517

MonoisotopicMass : 386.223237

CLogP : 2.2574

CLogS : -3.997

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 331.24

Relative PSA : 0.12876

PolarSurfaceArea : 29.27

Druglikeness : 3.2605

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.72414

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 9

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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