(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]oxolane-2,3-dione
Formula:C11H7O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]oxolane-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]oxolane-2,3-dione |
| MolecularFormula | C11H7O4Br |
| Smiles | O/C(/c(cc1)ccc1Br)=C(/COC1=O)\C1=O |
| InChI | InChI=1S/C11H7BrO4/c12-7-3-1-6(2-4-7)9(13)8-5-16-11(15)10(8)14/h1-4,13H,5H2 |
| InChIK | MUODRJVTOJTSGE-UHFFFAOYSA-N |
| TotalMolweight | 283.077 |
| Molweight | 283.077 |
| MonoisotopicMass | 281.952771 |
| CLogP | 1.0387 |
| CLogS | -2.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 166.92 |
| Relative PSA | 0.29463 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -10.051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]oxolane-2,3-dione | 2 - (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]oxolane-2,3-dione
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