| MolName | (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide |
| MolecularFormula | C24H16N2O2Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1cccc(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C24H16Cl4N2O2/c25-17-8-4-15(21(27)12-17)6-10-23(31)29-19-2-1-3-20(14-19)30-24(32)11-7-16-5-9-18(26)13-22(16)28/h1-14H,(H,29,31)(H,30,32) |
| InChIK | ZHXQPSVLIPYZBM-UHFFFAOYSA-N |
| TotalMolweight | 506.215 |
| Molweight | 506.215 |
| MonoisotopicMass | 503.996586 |
| CLogP | 7.037 |
| CLogS | -8.324 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 365.88 |
| Relative PSA | 0.13392 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide