2-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C13H11N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C13H11N3O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(CO)=O)o2)ccc1)=O |
| InChI | InChI=1S/C13H11N3O5/c17-8-13(18)15-14-7-11-4-5-12(21-11)9-2-1-3-10(6-9)16(19)20/h1-7,17H,8H2,(H,15,18) |
| InChIK | NYILBHZCJBYLRK-UHFFFAOYSA-N |
| TotalMolweight | 289.246 |
| Molweight | 289.246 |
| MonoisotopicMass | 289.069872 |
| CLogP | 0.8484 |
| CLogS | -3.964 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 220.46 |
| Relative PSA | 0.42475 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.65 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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