(E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one
Formula:C18H17NO
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| 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 |
| StereoCon |
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1 - (E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one | 2 - (E)-2-(aziridin-1-ylmethyl)-1,3-diphenylprop-2-en-1-one
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