Molecule ID: mol1840
SMILES: C[N+](C)(C)c1ccc(O)cc1
InChI: InChI=1S/C9H13NO/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.21 | IUPAC digitized pKa | 1 » 0 |
| 8.21 | IUPAC digitized pKa | 1 » 0 |
| 8.25 | Datawarrior | 1 » 0 |
| 8.25 | OCHEM | 1 » 0 |
| 8.26 | AttenGpKa training set | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.34 | IUPAC digitized pKa | 1 » 0 |
| 8.34 | IUPAC digitized pKa | 1 » 0 |
| 8.34 | IUPAC digitized pKa | 1 » 0 |
| 8.34 | QSARToolbox | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | Hunt | 1 » 0 |
| 8.90 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | IUPAC digitized pKa | 1 » 0 |