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C22H24N3O | Cheminformatics

(Z,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine

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

MolName : (Z,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine

MolecularFormula : C22H24N3O

Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\C=C\c1ccco1

InChI : InChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/p+1

InChIK : GCWSUXUUONKCKR-UHFFFAOYSA-O

TotalMolweight : 346.453

Molweight : 346.453

MonoisotopicMass : 346.191937

CLogP : 1.3107

CLogS : -4.236

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 298.51

Relative PSA : 0.15664

PolarSurfaceArea : 33.18

Druglikeness : 3.435

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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