5-[(E)-2-phenylethenyl]oxolane-2,3,4-trione
Formula:C12H8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]oxolane-2,3,4-trione is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]oxolane-2,3,4-trione |
| MolecularFormula | C12H8O4 |
| Smiles | O=C(C(/C=C/c1ccccc1)OC1=O)C1=O |
| InChI | InChI=1S/C12H8O4/c13-10-9(16-12(15)11(10)14)7-6-8-4-2-1-3-5-8/h1-7,9H/b7-6+/t9-/m1/s1 |
| InChIK | OPHIATAEBWQGEF-XCODYQFDSA-N |
| TotalMolweight | 216.192 |
| Molweight | 216.192 |
| MonoisotopicMass | 216.04226 |
| CLogP | 0.6607 |
| CLogS | -2.195 |
| H Acceptors | 4 |
| TotalSurfaceArea | 162.01 |
| Relative PSA | 0.30319 |
| PolarSurfaceArea | 60.44 |
| Druglikeness | -12.631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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