| MolName | N-[(2E,4E)-1-(4-hydroxyanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C24H20N2O3 |
| Smiles | Oc(cc1)ccc1NC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C24H20N2O3/c27-21-16-14-20(15-17-21)25-24(29)22(13-7-10-18-8-3-1-4-9-18)26-23(28)19-11-5-2-6-12-19/h1-17,27H,(H,25,29)(H,26,28) |
| InChIK | BKVJMUCXCXAGNK-UHFFFAOYSA-N |
| TotalMolweight | 384.434 |
| Molweight | 384.434 |
| MonoisotopicMass | 384.147393 |
| CLogP | 4.7347 |
| CLogS | -4.889 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 308.76 |
| Relative PSA | 0.20113 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 3.1676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[(2E,4E)-1-(4-hydroxyanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2E,4E)-1-(4-hydroxyanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide