(E)-3-(4-chlorophenyl)-1-(2,6-dichlorophenyl)prop-2-en-1-one
Formula:C15H9OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-1-(2,6-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-1-(2,6-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H9OCl3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C15H9Cl3O/c16-11-7-4-10(5-8-11)6-9-14(19)15-12(17)2-1-3-13(15)18/h1-9H |
| InChIK | GYHMQXCJCPRCGJ-UHFFFAOYSA-N |
| TotalMolweight | 311.594 |
| Molweight | 311.594 |
| MonoisotopicMass | 309.971896 |
| CLogP | 5.1218 |
| CLogS | -6.048 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.53 |
| Relative PSA | 0.058337 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
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