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C20H24N3 | Cheminformatics

(Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-imine

Molecular Formula : C20H24N3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-imine

MolecularFormula : C20H24N3

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

InChI : InChI=1S/C20H23N3/c1-3-8-19(9-4-1)12-7-13-21-23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-13H,14-18H2/p+1

InChIK : IUYKBDHNKXPWCD-UHFFFAOYSA-O

TotalMolweight : 306.432

Molweight : 306.432

MonoisotopicMass : 306.197022

CLogP : 0.9276

CLogS : -2.948

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 274.22

Relative PSA : 0.11906

PolarSurfaceArea : 20.04

Druglikeness : 3.7968

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.73913

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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