(E)-1,2-dichloro-3-(2-chloroethylsulfanyl)prop-1-ene
Formula:C5H7Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-1,2-dichloro-3-(2-chloroethylsulfanyl)prop-1-ene is a drug-like molecule.
| MolName | (E)-1,2-dichloro-3-(2-chloroethylsulfanyl)prop-1-ene |
| MolecularFormula | C5H7Cl3S |
| Smiles | ClCCSC/C(/Cl)=C\Cl |
| InChI | InChI=1S/C5H7Cl3S/c6-1-2-9-4-5(8)3-7/h3H,1-2,4H2 |
| InChIK | ATIWGYQFPDKMMX-UHFFFAOYSA-N |
| TotalMolweight | 205.536 |
| Molweight | 205.536 |
| MonoisotopicMass | 203.933401 |
| CLogP | 2.7065 |
| CLogS | -3.3 |
| TotalSurfaceArea | 143.24 |
| Relative PSA | 0.1221 |
| PolarSurfaceArea | 25.3 |
| Druglikeness | -0.88873 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| StereoCon |
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