| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C14H15NO2ClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NCC1OCCC1 |
| InChI | InChI=1S/C14H15ClFNO2/c15-12-4-1-5-13(16)11(12)6-7-14(18)17-9-10-3-2-8-19-10/h1,4-7,10H,2-3,8-9H2,(H,17,18)/t10-/m1/s1 |
| InChIK | FGVGZMFBWICLOT-SNVBAGLBSA-N |
| TotalMolweight | 283.729 |
| Molweight | 283.729 |
| MonoisotopicMass | 283.077534 |
| CLogP | 2.4342 |
| CLogS | -3.726 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.78 |
| Relative PSA | 0.16063 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -2.0733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide