Molecule ID: mol11079
SMILES: CN(C)Cc1cccc(O)c1O
InChI: InChI=1S/C9H13NO2/c1-10(2)6-7-4-3-5-8(11)9(7)12/h3-5,11-12H,6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | IUPAC digitized pKa | 1 » 0 |
| 8.01 | Datawarrior | 1 » 0 |
| 8.01 | AttenGpKa training set | 1 » 0 |
| 8.01 | OCHEM | 1 » 0 |
| 8.01 | QSARToolbox | 1 » 0 |