(3Z)-3-benzylidene-4,5,6,7-tetrachloro-2-benzofuran-1-one
Formula:C15H6O2Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(3Z)-3-benzylidene-4,5,6,7-tetrachloro-2-benzofuran-1-one is not a drug-like molecule.
| MolName | (3Z)-3-benzylidene-4,5,6,7-tetrachloro-2-benzofuran-1-one |
| MolecularFormula | C15H6O2Cl4 |
| Smiles | O=C(c(c1c(c(Cl)c2Cl)Cl)c2Cl)O/C1=C\c1ccccc1 |
| InChI | InChI=1S/C15H6Cl4O2/c16-11-9-8(6-7-4-2-1-3-5-7)21-15(20)10(9)12(17)14(19)13(11)18/h1-6H |
| InChIK | FPNOCUBXTIXMFU-UHFFFAOYSA-N |
| TotalMolweight | 360.023 |
| Molweight | 360.023 |
| MonoisotopicMass | 357.912188 |
| CLogP | 5.7345 |
| CLogS | -6.723 |
| H Acceptors | 2 |
| TotalSurfaceArea | 233.66 |
| Relative PSA | 0.098605 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.89496 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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