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C18H17NO (E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one | Chemryt

(E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one

Molecular Formula : C18H17NO | Mutagenic : low | Tumorigenic : low | Reproductive Effective : |

MolName : (E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one

MolecularFormula : C18H17NO

Smiles : O=C(/C(/CN1CC1)=C/c1ccccc1)c1ccccc1

InChI : InChI=1S/C18H17NO/c20-18(16-9-5-2-6-10-16)17(14-19-11-12-19)13-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2

InChIK : UGDDWGROOQVRHT-UHFFFAOYSA-N

TotalMolweight : 263.339

Molweight : 263.339

MonoisotopicMass : 263.131014

CLogP : 3.3107

CLogS : -3.233

H Acceptors : 2

TotalSurfaceArea : 211.56

Relative PSA : 0.068964

PolarSurfaceArea : 20.08

Druglikeness : 4.3215

Mutagenic : low

Tumorigenic : low

Reproductive Effective : high

Irritant : high

Nasty Functions : oxiran/aziridine

Shape Index : 0.55

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 5

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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