| MolName | (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide |
| MolecularFormula | C20H16N2O2Cl4 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCCNC(/C=C/c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C20H16Cl4N2O2/c21-15-5-1-13(11-17(15)23)3-7-19(27)25-9-10-26-20(28)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12H,9-10H2,(H,25,27)(H,26,28) |
| InChIK | XDTCHVSMAHKIHX-UHFFFAOYSA-N |
| TotalMolweight | 458.171 |
| Molweight | 458.171 |
| MonoisotopicMass | 455.996586 |
| CLogP | 5.1146 |
| CLogS | -6.542 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 333.64 |
| Relative PSA | 0.14686 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.0858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide