1-chloro-2-[(E)-2-chloroethenyl]benzene
Formula:C8H6Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
1-chloro-2-[(E)-2-chloroethenyl]benzene is a drug-like molecule.
| MolName | 1-chloro-2-[(E)-2-chloroethenyl]benzene |
| MolecularFormula | C8H6Cl2 |
| Smiles | Cl/C=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C8H6Cl2/c9-6-5-7-3-1-2-4-8(7)10/h1-6H |
| InChIK | XKPCIGDIOQKJEB-UHFFFAOYSA-N |
| TotalMolweight | 173.042 |
| Molweight | 173.042 |
| MonoisotopicMass | 171.984654 |
| CLogP | 3.0918 |
| CLogS | -3.565 |
| TotalSurfaceArea | 130.6 |
| Druglikeness | -1.6553 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
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