| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide |
| MolecularFormula | C24H22N2O2Cl2F2 |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NC(CC1)CCC1NC(/C=C/c(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C24H22Cl2F2N2O2/c25-19-3-1-5-21(27)17(19)11-13-23(31)29-15-7-9-16(10-8-15)30-24(32)14-12-18-20(26)4-2-6-22(18)28/h1-6,11-16H,7-10H2,(H,29,31)(H,30,32) |
| InChIK | RFKYVYHHQCDSDR-UHFFFAOYSA-N |
| TotalMolweight | 479.353 |
| Molweight | 479.353 |
| MonoisotopicMass | 478.102638 |
| CLogP | 5.3282 |
| CLogS | -7.08 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 354.52 |
| Relative PSA | 0.13822 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -1.4255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide