(Z)-1,2,3,4,5,5,6,6-octachlorohex-1-ene
Formula:C6H4Cl8
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1,2,3,4,5,5,6,6-octachlorohex-1-ene is a drug-like molecule.
| MolName | (Z)-1,2,3,4,5,5,6,6-octachlorohex-1-ene |
| MolecularFormula | C6H4Cl8 |
| Smiles | ClC(C(/C(/Cl)=C/Cl)Cl)C(C(Cl)Cl)(Cl)Cl |
| InChI | InChI=1S/C6H4Cl8/c7-1-2(8)3(9)4(10)6(13,14)5(11)12/h1,3-5H |
| InChIK | ZLAGTGNESILSGN-UHFFFAOYSA-N |
| TotalMolweight | 359.722 |
| Molweight | 359.722 |
| MonoisotopicMass | 355.782116 |
| CLogP | 4.9389 |
| CLogS | -5.334 |
| TotalSurfaceArea | 209.48 |
| Druglikeness | -0.30085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride; 1,2-dihalo-alkene |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - (Z)-1,2,3,4,5,5,6,6-octachlorohex-1-ene | 2 - (Z)-1,2,3,4,5,5,6,6-octachlorohex-1-ene
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