| MolName | (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide |
| MolecularFormula | C24H26N2O2Cl2 |
| Smiles | O=C(/C=C/c1cc(Cl)ccc1)NCCCCCCNC(/C=C/c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C24H26Cl2N2O2/c25-21-9-5-7-19(17-21)11-13-23(29)27-15-3-1-2-4-16-28-24(30)14-12-20-8-6-10-22(26)18-20/h5-14,17-18H,1-4,15-16H2,(H,27,29)(H,28,30) |
| InChIK | GOVPDMYGBKQFNQ-UHFFFAOYSA-N |
| TotalMolweight | 445.388 |
| Molweight | 445.388 |
| MonoisotopicMass | 444.137132 |
| CLogP | 5.7202 |
| CLogS | -6.15 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 357.84 |
| Relative PSA | 0.13693 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -6.1481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 15 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide