| MolName | (E)-3-(2,6-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide |
| MolecularFormula | C30H20N2O3Cl4 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C30H20Cl4N2O3/c31-25-3-1-4-26(32)23(25)15-17-29(37)35-19-7-11-21(12-8-19)39-22-13-9-20(10-14-22)36-30(38)18-16-24-27(33)5-2-6-28(24)34/h1-18H,(H,35,37)(H,36,38) |
| InChIK | RDEUKJWICYMWSF-UHFFFAOYSA-N |
| TotalMolweight | 598.312 |
| Molweight | 598.312 |
| MonoisotopicMass | 596.022801 |
| CLogP | 8.4326 |
| CLogS | -10.621 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 435.64 |
| Relative PSA | 0.13543 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -0.37294 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64103 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 24 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2,6-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide | 2 - (E)-3-(2,6-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide