Molecule ID: mol2277
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 |
|---|---|---|
| 9.73 | AttenGpKa training set | 1 » 0 |
| 9.86 | OCHEM | 1 » 0 |
| 9.86 | Hunt | 1 » 0 |
| 9.86 | Baltruschat ChEMBL | 1 » 0 |
| 10.25 | Baltruschat ChEMBL | 1 » 0 |