2,3,4,6-tetrachlorophenol;sulfate
Formula:C6H2OCl4.O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2,3,4,6-tetrachlorophenol;sulfate is a drug-like molecule.
| MolName | 2,3,4,6-tetrachlorophenol;sulfate |
| MolecularFormula | C6H2OCl4.O4S |
| Smiles | [O-]S([O-])(=O)=O.Oc(c(Cl)c(c(Cl)c1)Cl)c1Cl |
| InChI | InChI=1S/C6H2Cl4O.H2O4S/c7-2-1-3(8)6(11)5(10)4(2)9;1-5(2,3)4/h1,11H;(H2,1,2,3,4)/p-2 |
| InChIK | ATSTZCXTSFFCBU-UHFFFAOYSA-L |
| TotalMolweight | 327.955 |
| Molweight | 231.893 |
| MonoisotopicMass | 229.885973 |
| CLogP | 3.7379 |
| CLogS | -4.264 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 141.29 |
| Relative PSA | 0.092717 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -2.05 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.54545 |
| Fragments | 2 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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