| MolName | (2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one |
| MolecularFormula | C23H18O4 |
| Smiles | COc1ccc(/C=C2/Oc(cc(cc3)OCc4ccccc4)c3C2=O)cc1 |
| InChI | InChI=1S/C23H18O4/c1-25-18-9-7-16(8-10-18)13-22-23(24)20-12-11-19(14-21(20)27-22)26-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b22-13+ |
| InChIK | YYCLMHUUFCLMSV-LPYMAVHISA-N |
| TotalMolweight | 358.392 |
| Molweight | 358.392 |
| MonoisotopicMass | 358.12051 |
| CLogP | 4.5967 |
| CLogS | -5.501 |
| H Acceptors | 4 |
| TotalSurfaceArea | 277.76 |
| Relative PSA | 0.15495 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -0.0056962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one | 2 - (2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one