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C25H28N3O (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine

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

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine

MolecularFormula : C25H28N3O

Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccc(OCc2ccccc2)c1

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

InChIK : UYQWKMGQNAOQLV-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 : 0.68966

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 : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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