Molecule ID: mol11074
SMILES: CN(C)Cc1cccc(O)c1
InChI: InChI=1S/C9H13NO/c1-10(2)7-8-4-3-5-9(11)6-8/h3-6,11H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.88 | IUPAC digitized pKa | 1 » 0 |
| 8.88 | Datawarrior | 1 » 0 |
| 8.88 | AttenGpKa training set | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |