Molecule ID: mol4421
SMILES: Cc1cc(C)c2cccc(O)c2n1
InChI: InChI=1S/C11H11NO/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13/h3-6,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | OCHEM | 1 » 0 |
| 6.20 | IUPAC digitized pKa | 1 » 0 |
| 6.20 | Datawarrior | 1 » 0 |
| 6.20 | OCHEM | 1 » 0 |
| 6.20 | OCHEM | 1 » 0 |
| 6.20 | OCHEM | 1 » 0 |
| 10.60 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |