(E)-3-(4-phenoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
Formula:C21H13O2Cl3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(E)-3-(4-phenoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-phenoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C21H13O2Cl3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Oc1ccccc1)c(c(Cl)c1Cl)ccc1Cl |
| InChI | InChI=1S/C21H13Cl3O2/c22-18-12-11-17(20(23)21(18)24)19(25)13-8-14-6-9-16(10-7-14)26-15-4-2-1-3-5-15/h1-13H |
| InChIK | JZXSCUVJEOFWEY-UHFFFAOYSA-N |
| TotalMolweight | 403.691 |
| Molweight | 403.691 |
| MonoisotopicMass | 401.998111 |
| CLogP | 6.5174 |
| CLogS | -8.345 |
| H Acceptors | 2 |
| TotalSurfaceArea | 293.29 |
| Relative PSA | 0.078557 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.1775 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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