(3Z,4Z)-3,4-dibenzylideneoxolane-2,5-dione
Formula:C18H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z,4Z)-3,4-dibenzylideneoxolane-2,5-dione is a drug-like molecule.
| MolName | (3Z,4Z)-3,4-dibenzylideneoxolane-2,5-dione |
| MolecularFormula | C18H12O3 |
| Smiles | O=C(/C(/C1=C/c2ccccc2)=C\c2ccccc2)OC1=O |
| InChI | InChI=1S/C18H12O3/c19-17-15(11-13-7-3-1-4-8-13)16(18(20)21-17)12-14-9-5-2-6-10-14/h1-12H |
| InChIK | WWTMXGUUNMLVOC-UHFFFAOYSA-N |
| TotalMolweight | 276.29 |
| Molweight | 276.29 |
| MonoisotopicMass | 276.078645 |
| CLogP | 2.908 |
| CLogS | -3.743 |
| H Acceptors | 3 |
| TotalSurfaceArea | 214.44 |
| Relative PSA | 0.16825 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -15.083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | anhydride |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| StereoCon |
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