| MolName | (E)-N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide |
| MolecularFormula | C19H19NO2ClF |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)NCc1cccc(Cl)c1 |
| InChI | InChI=1S/C19H19ClFNO2/c20-17-4-1-3-16(13-17)14-22-19(23)10-7-15-5-8-18(9-6-15)24-12-2-11-21/h1,3-10,13H,2,11-12,14H2,(H,22,23) |
| InChIK | IGAJFINVVBTZTE-UHFFFAOYSA-N |
| TotalMolweight | 347.816 |
| Molweight | 347.816 |
| MonoisotopicMass | 347.108834 |
| CLogP | 4.0168 |
| CLogS | -4.713 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.54 |
| Relative PSA | 0.12521 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.5653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide | 2 - (E)-N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide