Molecule ID: mol3359
SMILES: Cc1cc(N)c(O)cc1C
InChI: InChI=1S/C8H11NO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.28 | Datawarrior | 1 » 0 |
| 5.28 | AttenGpKa training set | 1 » 0 |
| 5.28 | OCHEM | 1 » 0 |
| 10.40 | QSARToolbox | 0 » -1 |
| 10.40 | Datawarrior | 0 » -1 |
| 10.40 | OCHEM | 0 » -1 |
| 10.40 | AttenGpKa training set | 0 » -1 |
| 10.42 | IUPAC digitized pKa | 0 » -1 |