Molecule ID: mol2154
SMILES: Cc1cnc2c(O)cccc2c1
InChI: InChI=1S/C10H9NO/c1-7-5-8-3-2-4-9(12)10(8)11-6-7/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.93 | OCHEM | 1 » 0 |
| 4.93 | Datawarrior | 1 » 0 |
| 4.94 | IUPAC digitized pKa | 1 » 0 |
| 4.94 | OCHEM | 1 » 0 |
| 9.06 | QSARToolbox | 0 » -1 |
| 9.06 | QSARToolbox | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | Datawarrior | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.75 | Hunt | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |