Molecule ID: mol6499
SMILES: Cc1cccc(C(C)O)n1
InChI: InChI=1S/C8H11NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5,7,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 14.00 | IUPAC digitized pKa | 0 » -1 |
| 14.00 | QSARToolbox | 0 » -1 |