5-[(E)-2-phenylethenyl]furan-2,3-dione
Formula:C12H8O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]furan-2,3-dione is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]furan-2,3-dione |
| MolecularFormula | C12H8O3 |
| Smiles | O=C(C=C(/C=C/c1ccccc1)O1)C1=O |
| InChI | InChI=1S/C12H8O3/c13-11-8-10(15-12(11)14)7-6-9-4-2-1-3-5-9/h1-8H |
| InChIK | KRHDAPXDUKECJS-UHFFFAOYSA-N |
| TotalMolweight | 200.193 |
| Molweight | 200.193 |
| MonoisotopicMass | 200.047345 |
| CLogP | 1.446 |
| CLogS | -2.645 |
| H Acceptors | 3 |
| TotalSurfaceArea | 156.47 |
| Relative PSA | 0.23059 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -8.1406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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