2,4-dichloro-6-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol
Formula:C14H8O2Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,4-dichloro-6-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol is not a drug-like molecule.
| MolName | 2,4-dichloro-6-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol |
| MolecularFormula | C14H8O2Cl4 |
| Smiles | Oc(c(Cl)c1)c(/C=C/c2cc(Cl)cc(Cl)c2O)cc1Cl |
| InChI | InChI=1S/C14H8Cl4O2/c15-9-3-7(13(19)11(17)5-9)1-2-8-4-10(16)6-12(18)14(8)20/h1-6,19-20H |
| InChIK | KRYPWHGVMQMVGW-UHFFFAOYSA-N |
| TotalMolweight | 350.028 |
| Molweight | 350.028 |
| MonoisotopicMass | 347.927838 |
| CLogP | 5.5992 |
| CLogS | -6.104 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 233.9 |
| Relative PSA | 0.11201 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -1.5192 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - 2,4-dichloro-6-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol | 2 - 2,4-dichloro-6-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol
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