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C17H15NO | Cheminformatics

(Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one

Molecular Formula : C17H15NO | Mutagenic : low | Tumorigenic : low | Reproductive Effective : high |

MolName : (Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one

MolecularFormula : C17H15NO

Smiles : O=C(/C=C(/c1ccccc1)\N1CC1)c1ccccc1

InChI : InChI=1S/C17H15NO/c19-17(15-9-5-2-6-10-15)13-16(18-11-12-18)14-7-3-1-4-8-14/h1-10,13H,11-12H2

InChIK : XKMHMUQWANVWMS-UHFFFAOYSA-N

TotalMolweight : 249.312

Molweight : 249.312

MonoisotopicMass : 249.115364

CLogP : 2.9259

CLogS : -3.149

H Acceptors : 2

TotalSurfaceArea : 197.8

Relative PSA : 0.073761

PolarSurfaceArea : 20.08

Druglikeness : 3.4844

Mutagenic : low

Tumorigenic : low

Reproductive Effective : high

Irritant : high

Nasty Functions : oxiran/aziridine

Shape Index : 0.57895

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 5

StereoCon :

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