Molecule ID: mol1831
SMILES: C[N+](C)(C)c1cccc(O)c1
InChI: InChI=1S/C9H13NO/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.01 | AttenGpKa training set | 1 » 0 |
| 8.03 | IUPAC digitized pKa | 1 » 0 |
| 8.03 | IUPAC digitized pKa | 1 » 0 |
| 8.04 | QSARToolbox | 1 » 0 |
| 8.04 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | OCHEM | 1 » 0 |
| 8.06 | Hunt | 1 » 0 |
| 8.07 | OCHEM | 1 » 0 |
| 8.07 | Datawarrior | 1 » 0 |
| 8.12 | QSARToolbox | 1 » 0 |
| 8.12 | IUPAC digitized pKa | 1 » 0 |
| 8.12 | IUPAC digitized pKa | 1 » 0 |