| MolName | (E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C14H11NO2 |
| Smiles | Oc1c(/C=C/C(c2ncccc2)=O)cccc1 |
| InChI | InChI=1S/C14H11NO2/c16-13-7-2-1-5-11(13)8-9-14(17)12-6-3-4-10-15-12/h1-10,16H |
| InChIK | JKTCHMQMVYEGAI-UHFFFAOYSA-N |
| TotalMolweight | 225.246 |
| Molweight | 225.246 |
| MonoisotopicMass | 225.078979 |
| CLogP | 2.0112 |
| CLogS | -2.773 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.38 |
| Relative PSA | 0.20348 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.30944 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one | 2 - (E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one