(3E,5E)-3,5-dibenzylideneoxan-4-one
Formula:C19H16O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-3,5-dibenzylideneoxan-4-one is a drug-like molecule.
| MolName | (3E,5E)-3,5-dibenzylideneoxan-4-one |
| MolecularFormula | C19H16O2 |
| Smiles | O=C(/C(/COC1)=C/c2ccccc2)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C19H16O2/c20-19-17(11-15-7-3-1-4-8-15)13-21-14-18(19)12-16-9-5-2-6-10-16/h1-12H,13-14H2 |
| InChIK | BYUOXPBVJAPZNL-UHFFFAOYSA-N |
| TotalMolweight | 276.334 |
| Molweight | 276.334 |
| MonoisotopicMass | 276.11503 |
| CLogP | 3.674 |
| CLogS | -3.701 |
| H Acceptors | 2 |
| TotalSurfaceArea | 224.21 |
| Relative PSA | 0.10276 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| StereoCon |
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