| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H18N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(C(c3ccccc3)(c3ccccc3)O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C25H18ClN3O5/c26-22-13-11-19(29(32)33)15-21(22)23-14-12-20(34-23)16-27-28-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,31H,(H,28,30) |
| InChIK | CEKAACAAWUNXLD-UHFFFAOYSA-N |
| TotalMolweight | 475.887 |
| Molweight | 475.887 |
| MonoisotopicMass | 475.093499 |
| CLogP | 4.1052 |
| CLogS | -7.083 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 352.05 |
| Relative PSA | 0.26598 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 2.4076 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide