| MolName | (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10O2ClF |
| Smiles | Oc(ccc(Cl)c1)c1C(/C=C/c(cccc1)c1F)=O |
| InChI | InChI=1S/C15H10ClFO2/c16-11-6-8-15(19)12(9-11)14(18)7-5-10-3-1-2-4-13(10)17/h1-9,19H |
| InChIK | WUJADWVYJCZWRM-UHFFFAOYSA-N |
| TotalMolweight | 276.693 |
| Molweight | 276.693 |
| MonoisotopicMass | 276.035335 |
| CLogP | 3.6649 |
| CLogS | -4.594 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 205.39 |
| Relative PSA | 0.12727 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.1183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-fluorophenyl)prop-2-en-1-one | 2 - (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-fluorophenyl)prop-2-en-1-one