Molecule ID: mol3541
SMILES: Nc1cc(N)c2ccccc2c1O
InChI: InChI=1S/C10H10N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H,11-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.18 | QSARToolbox | 2 » 1 |
| 3.14 | IUPAC digitized pKa | 2 » 1 |
| 3.14 | OCHEM | 2 » 1 |
| 3.14 | QSARToolbox | 2 » 1 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 10.18 | IUPAC digitized pKa | 0 » -1 |
| 10.18 | OCHEM | 0 » -1 |