3-[(E)-2-phenylethenyl]oxolane-2,5-dione
Formula:C12H10O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]oxolane-2,5-dione is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]oxolane-2,5-dione |
| MolecularFormula | C12H10O3 |
| Smiles | O=C(CC1/C=C/c2ccccc2)OC1=O |
| InChI | InChI=1S/C12H10O3/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9/h1-7,10H,8H2/b7-6+/t10-/m1/s1 |
| InChIK | CRVRPMGEUVHZCJ-VQCYPWCPSA-N |
| TotalMolweight | 202.208 |
| Molweight | 202.208 |
| MonoisotopicMass | 202.062995 |
| CLogP | 1.4559 |
| CLogS | -2.655 |
| H Acceptors | 3 |
| TotalSurfaceArea | 158.02 |
| Relative PSA | 0.22833 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -16.086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | anhydride |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - 3-[(E)-2-phenylethenyl]oxolane-2,5-dione | 2 - 3-[(E)-2-phenylethenyl]oxolane-2,5-dione
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