2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C9H9N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C9H9N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CO)=O)cc1)=O |
| InChI | InChI=1S/C9H9N3O4/c13-6-9(14)11-10-5-7-1-3-8(4-2-7)12(15)16/h1-5,13H,6H2,(H,11,14) |
| InChIK | KVUQQRNACUAGQN-UHFFFAOYSA-N |
| TotalMolweight | 223.187 |
| Molweight | 223.187 |
| MonoisotopicMass | 223.059307 |
| CLogP | -0.0905 |
| CLogS | -2.504 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 171.01 |
| Relative PSA | 0.46506 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.48831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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