2-[(E)-2-phenylethenyl]benzoyl chloride
Formula:C15H11OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-phenylethenyl]benzoyl chloride is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]benzoyl chloride |
| MolecularFormula | C15H11OCl |
| Smiles | O=C(c1c(/C=C/c2ccccc2)cccc1)Cl |
| InChI | InChI=1S/C15H11ClO/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H |
| InChIK | JVEIFZKSEKRFMG-UHFFFAOYSA-N |
| TotalMolweight | 242.704 |
| Molweight | 242.704 |
| MonoisotopicMass | 242.049842 |
| CLogP | 3.7898 |
| CLogS | -5.098 |
| H Acceptors | 1 |
| TotalSurfaceArea | 192.69 |
| Relative PSA | 0.067673 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -10.325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-phenylethenyl]benzoyl chloride | 2 - 2-[(E)-2-phenylethenyl]benzoyl chloride
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off