| MolName | (E)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C24H14NO3Cl3 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1c(C(c(cc2)ccc2Cl)=O)oc2c1cccc2 |
| InChI | InChI=1S/C24H14Cl3NO3/c25-16-9-6-15(7-10-16)23(30)24-22(18-3-1-2-4-20(18)31-24)28-21(29)12-8-14-5-11-17(26)13-19(14)27/h1-13H,(H,28,29) |
| InChIK | OZAYLUUBGLPRQL-UHFFFAOYSA-N |
| TotalMolweight | 470.738 |
| Molweight | 470.738 |
| MonoisotopicMass | 469.003925 |
| CLogP | 6.5899 |
| CLogS | -8.989 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 336.79 |
| Relative PSA | 0.15336 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | 1.2172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-3-(2,4-dichlorophenyl)prop-2-enamide