| MolName | (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide |
| MolecularFormula | C24H24N2O2F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(CCCC1)C1NC(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C24H24F2N2O2/c25-19-11-5-17(6-12-19)9-15-23(29)27-21-3-1-2-4-22(21)28-24(30)16-10-18-7-13-20(26)14-8-18/h5-16,21-22H,1-4H2,(H,27,29)(H,28,30) |
| InChIK | QHFQGLQBBZFCCF-UHFFFAOYSA-N |
| TotalMolweight | 410.463 |
| Molweight | 410.463 |
| MonoisotopicMass | 410.180584 |
| CLogP | 4.1162 |
| CLogS | -5.608 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 323.68 |
| Relative PSA | 0.15138 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -5.4315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide