2-[(Z)-furan-2-ylmethylideneamino]oxyacetate
Formula:C7H6NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-furan-2-ylmethylideneamino]oxyacetate is a drug-like molecule.
| MolName | 2-[(Z)-furan-2-ylmethylideneamino]oxyacetate |
| MolecularFormula | C7H6NO4 |
| Smiles | [O-]C(CO/N=C\c1ccco1)=O |
| InChI | InChI=1S/C7H7NO4/c9-7(10)5-12-8-4-6-2-1-3-11-6/h1-4H,5H2,(H,9,10)/p-1 |
| InChIK | ZZSFTUGAAUCSKJ-UHFFFAOYSA-M |
| TotalMolweight | 168.128 |
| Molweight | 168.128 |
| MonoisotopicMass | 168.029684 |
| CLogP | -1.3397 |
| CLogS | -1.776 |
| H Acceptors | 5 |
| TotalSurfaceArea | 136.75 |
| Relative PSA | 0.46026 |
| PolarSurfaceArea | 74.86 |
| Druglikeness | 1.009 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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