| MolName | 2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide |
| MolecularFormula | C18H13N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2c(-c(cccc3)c3O)occ2)=O)cc1)=O |
| InChI | InChI=1S/C18H13N3O5/c22-16-4-2-1-3-14(16)17-15(9-10-26-17)18(23)20-19-11-12-5-7-13(8-6-12)21(24)25/h1-11,22H,(H,20,23) |
| InChIK | ZDNNQQKPIMYLQR-UHFFFAOYSA-N |
| TotalMolweight | 351.317 |
| Molweight | 351.317 |
| MonoisotopicMass | 351.085522 |
| CLogP | 2.8192 |
| CLogS | -5.321 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 266.46 |
| Relative PSA | 0.35142 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | -0.27401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide | 2 - 2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide