(E)-3-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Formula:C21H15NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C21H15NO2Cl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H15Cl2NO2/c22-19-7-4-8-20(23)18(19)13-14-21(25)24-15-9-11-17(12-10-15)26-16-5-2-1-3-6-16/h1-14H,(H,24,25) |
| InChIK | HXFPYBIKBBMTLS-UHFFFAOYSA-N |
| TotalMolweight | 384.261 |
| Molweight | 384.261 |
| MonoisotopicMass | 383.047983 |
| CLogP | 5.7439 |
| CLogS | -7.267 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.33 |
| Relative PSA | 0.11924 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.37294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 7 |
| Amides | 1 |
| StereoCon |
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