| MolName | (E)-3-(4-chlorophenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide |
| MolecularFormula | C24H15NO3ClF |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1c(C(c(cc2)ccc2F)=O)oc2c1cccc2 |
| InChI | InChI=1S/C24H15ClFNO3/c25-17-10-5-15(6-11-17)7-14-21(28)27-22-19-3-1-2-4-20(19)30-24(22)23(29)16-8-12-18(26)13-9-16/h1-14H,(H,27,28) |
| InChIK | RQTOXANQARNYAQ-UHFFFAOYSA-N |
| TotalMolweight | 419.838 |
| Molweight | 419.838 |
| MonoisotopicMass | 419.072449 |
| CLogP | 5.4787 |
| CLogS | -7.831 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.3 |
| Relative PSA | 0.16539 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | -0.12277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide