2-[(Z)-furan-2-ylmethylideneamino]oxyacetic acid
Formula:C7H7NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-furan-2-ylmethylideneamino]oxyacetic acid is a drug-like molecule.
| MolName | 2-[(Z)-furan-2-ylmethylideneamino]oxyacetic acid |
| MolecularFormula | C7H7NO4 |
| Smiles | OC(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) |
| InChIK | ZZSFTUGAAUCSKJ-UHFFFAOYSA-N |
| TotalMolweight | 169.136 |
| Molweight | 169.136 |
| MonoisotopicMass | 169.037509 |
| CLogP | 0.7363 |
| CLogS | -1.776 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 135.57 |
| Relative PSA | 0.45556 |
| PolarSurfaceArea | 72.03 |
| Druglikeness | 0.96548 |
| 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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