Molecule ID: mol1878
SMILES: CN[C@H](C)Cc1ccccc1
InChI: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.87 | OCHEM | 1 » 0 |
| 9.99 | Hunt | 1 » 0 |
| 9.99 | AttenGpKa training set | 1 » 0 |