Molecule ID: mol2464
SMILES: O=C(O)c1ccc2ncccc2c1
InChI: InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | OCHEM | 1 » 0 |
| 0.10 | Hunt | 1 » 0 |
| 0.10 | QSARToolbox | 1 » 0 |
| 4.80 | OCHEM | 0 » -1 |
| 4.82 | Datawarrior | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |