| MolName | (1E,4E)-1,5-bis(3-hydroxyphenyl)penta-1,4-dien-3-one |
| MolecularFormula | C17H14O3 |
| Smiles | Oc1cccc(/C=C/C(/C=C/c2cc(O)ccc2)=O)c1 |
| InChI | InChI=1S/C17H14O3/c18-15(9-7-13-3-1-5-16(19)11-13)10-8-14-4-2-6-17(20)12-14/h1-12,19-20H |
| InChIK | WOHFCBMZGVNRBL-UHFFFAOYSA-N |
| TotalMolweight | 266.295 |
| Molweight | 266.295 |
| MonoisotopicMass | 266.094295 |
| CLogP | 3.2332 |
| CLogS | -3.394 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 216.47 |
| Relative PSA | 0.18127 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | 0.68383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - (1E,4E)-1,5-bis(3-hydroxyphenyl)penta-1,4-dien-3-one | 2 - (1E,4E)-1,5-bis(3-hydroxyphenyl)penta-1,4-dien-3-one