| MolName | 4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione |
| MolecularFormula | C18H14N2O5 |
| Smiles | O=C(CO/N=C\c1ccccc1)N(C(COc1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C18H14N2O5/c21-16-11-24-15-9-5-4-8-14(15)18(23)20(16)17(22)12-25-19-10-13-6-2-1-3-7-13/h1-10H,11-12H2 |
| InChIK | OIGOBFKFGQFIOS-UHFFFAOYSA-N |
| TotalMolweight | 338.318 |
| Molweight | 338.318 |
| MonoisotopicMass | 338.090273 |
| CLogP | 2.6389 |
| CLogS | -3.322 |
| H Acceptors | 7 |
| TotalSurfaceArea | 255.35 |
| Relative PSA | 0.2905 |
| PolarSurfaceArea | 85.27 |
| Druglikeness | 2.5485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione | 2 - 4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione