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C20H24N3O | Cheminformatics

N-phenyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Molecular Formula : C20H24N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-phenyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

MolecularFormula : C20H24N3O

Smiles : O=C(Nc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C20H23N3O/c24-20(21-19-11-5-2-6-12-19)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2,(H,21,24)/p+1

InChIK : NGMMORSXNOMQCE-UHFFFAOYSA-O

TotalMolweight : 322.431

Molweight : 322.431

MonoisotopicMass : 322.191937

CLogP : 1.5068

CLogS : -3.184

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 278.67

Relative PSA : 0.16378

PolarSurfaceArea : 36.78

Druglikeness : 3.0089

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.70833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 6

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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