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C19H24N5O | Cheminformatics

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

Molecular Formula : C19H24N5O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C19H24N5O

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccncc1

InChI : InChI=1S/C19H23N5O/c25-19(22-21-16-17-6-9-20-10-7-17)8-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-7,9-10,16H,8,11-15H2,(H,22,25)/p+1

InChIK : AZANHDBNKYMICS-UHFFFAOYSA-O

TotalMolweight : 338.434

Molweight : 338.434

MonoisotopicMass : 338.198085

CLogP : -0.0313

CLogS : -2.563

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 289.45

Relative PSA : 0.23534

PolarSurfaceArea : 62.03

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 : 6

Electronegative Atoms : 6

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

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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