2-[(E)-2-(2-carbonochloridoylphenyl)ethenyl]benzoyl chloride
Formula:C16H10O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(2-carbonochloridoylphenyl)ethenyl]benzoyl chloride is a drug-like molecule.
| MolName | 2-[(E)-2-(2-carbonochloridoylphenyl)ethenyl]benzoyl chloride |
| MolecularFormula | C16H10O2Cl2 |
| Smiles | O=C(c1c(/C=C/c(cccc2)c2C(Cl)=O)cccc1)Cl |
| InChI | InChI=1S/C16H10Cl2O2/c17-15(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(18)20/h1-10H |
| InChIK | AKVPLPCJPDBNSC-UHFFFAOYSA-N |
| TotalMolweight | 305.159 |
| Molweight | 305.159 |
| MonoisotopicMass | 304.005784 |
| CLogP | 3.713 |
| CLogS | -6.444 |
| H Acceptors | 2 |
| TotalSurfaceArea | 225.86 |
| Relative PSA | 0.11547 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -10.325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - 2-[(E)-2-(2-carbonochloridoylphenyl)ethenyl]benzoyl chloride | 2 - 2-[(E)-2-(2-carbonochloridoylphenyl)ethenyl]benzoyl chloride
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