| MolName | (Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide |
| MolecularFormula | C26H20N2O6 |
| Smiles | O/C(/c1ccccc1)=C\C(C(Nc(cc1)ccc1NC(C(/C=C(/c1ccccc1)\O)=O)=O)=O)=O |
| InChI | InChI=1S/C26H20N2O6/c29-21(17-7-3-1-4-8-17)15-23(31)25(33)27-19-11-13-20(14-12-19)28-26(34)24(32)16-22(30)18-9-5-2-6-10-18/h1-16,29-30H,(H,27,33)(H,28,34) |
| InChIK | IKDAQWSORDIMRG-UHFFFAOYSA-N |
| TotalMolweight | 456.453 |
| Molweight | 456.453 |
| MonoisotopicMass | 456.132138 |
| CLogP | 2.0056 |
| CLogS | -4.29 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 348.82 |
| Relative PSA | 0.29035 |
| PolarSurfaceArea | 132.8 |
| Druglikeness | -0.4753 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 20 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide | 2 - (Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide