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C20H25N4O | Cheminformatics

N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Molecular Formula : C20H25N4O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

MolecularFormula : C20H25N4O

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccccc1

InChI : InChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25)/p+1

InChIK : CFRAUGGPFNAJNQ-UHFFFAOYSA-O

TotalMolweight : 337.446

Molweight : 337.446

MonoisotopicMass : 337.202836

CLogP : 0.9696

CLogS : -3.358

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 290.69

Relative PSA : 0.1966

PolarSurfaceArea : 49.14

Druglikeness : 5.8039

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.72

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

StereoCon :

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