| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide |
| MolecularFormula | C15H10NOClFI |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc(cc1)ccc1I |
| InChI | InChI=1S/C15H10ClFINO/c16-13-2-1-3-14(17)12(13)8-9-15(20)19-11-6-4-10(18)5-7-11/h1-9H,(H,19,20) |
| InChIK | BKNNKXKJUNRFAG-UHFFFAOYSA-N |
| TotalMolweight | 401.601 |
| Molweight | 401.601 |
| MonoisotopicMass | 400.947967 |
| CLogP | 4.2802 |
| CLogS | -5.564 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.78 |
| Relative PSA | 0.10347 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide