| MolName | (E)-3-(2-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C15H11O2Cl |
| Smiles | Oc(cccc1)c1C(/C=C/c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H11ClO2/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,17H |
| InChIK | SFYVCOWVCRTDCW-UHFFFAOYSA-N |
| TotalMolweight | 258.703 |
| Molweight | 258.703 |
| MonoisotopicMass | 258.044757 |
| CLogP | 3.5641 |
| CLogS | -4.28 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 199.04 |
| Relative PSA | 0.13133 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.22165 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (E)-3-(2-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | 2 - (E)-3-(2-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one