(5E)-3-bromo-5-(bromomethylidene)furan-2-one
Formula:C5H2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-3-bromo-5-(bromomethylidene)furan-2-one is a drug-like molecule.
| MolName | (5E)-3-bromo-5-(bromomethylidene)furan-2-one |
| MolecularFormula | C5H2O2Br2 |
| Smiles | O=C(C(Br)=C1)O/C1=C/Br |
| InChI | InChI=1S/C5H2Br2O2/c6-2-3-1-4(7)5(8)9-3/h1-2H |
| InChIK | UYOUBWYVSSHGLX-UHFFFAOYSA-N |
| TotalMolweight | 253.877 |
| Molweight | 253.877 |
| MonoisotopicMass | 251.842152 |
| CLogP | 0.9889 |
| CLogS | -2.775 |
| H Acceptors | 2 |
| TotalSurfaceArea | 114.43 |
| Relative PSA | 0.20135 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -10.562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 1 |
| StereoCon |
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