(E)-3-(2-chlorophenyl)prop-2-enoyl chloride
Formula:C9H6OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)prop-2-enoyl chloride is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)prop-2-enoyl chloride |
| MolecularFormula | C9H6OCl2 |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Cl |
| InChI | InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H |
| InChIK | ZAUFNZFFWDQKPL-UHFFFAOYSA-N |
| TotalMolweight | 201.052 |
| Molweight | 201.052 |
| MonoisotopicMass | 199.979569 |
| CLogP | 2.4618 |
| CLogS | -2.811 |
| H Acceptors | 1 |
| TotalSurfaceArea | 148.35 |
| Relative PSA | 0.0879 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -9.7936 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-chlorophenyl)prop-2-enoyl chloride | 2 - (E)-3-(2-chlorophenyl)prop-2-enoyl chloride
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off