(E)-1-(2,4-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H16O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,4-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2,4-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H16O2Cl2 |
| Smiles | O=C(/C=C/c(cccc1)c1OCc1ccccc1)c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16Cl2O2/c23-18-11-12-19(20(24)14-18)21(25)13-10-17-8-4-5-9-22(17)26-15-16-6-2-1-3-7-16/h1-14H,15H2 |
| InChIK | HNYOWDSMMYREHS-UHFFFAOYSA-N |
| TotalMolweight | 383.273 |
| Molweight | 383.273 |
| MonoisotopicMass | 382.052734 |
| CLogP | 5.8639 |
| CLogS | -6.653 |
| H Acceptors | 2 |
| TotalSurfaceArea | 291.63 |
| Relative PSA | 0.079004 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.033854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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