Molecule ID: mol6234
SMILES: CN[C@@H](C)[C@H](O)c1ccccc1
InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.46 | Datawarrior | 1 » 0 |
| 9.57 | IUPAC digitized pKa | 1 » 0 |
| 9.61 | OCHEM | 1 » 0 |
| 9.74 | AttenGpKa training set | 1 » 0 |