Molecule ID: mol3049
SMILES: COc1ccc(C[C@H](C)N)cc1
InChI: InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | AvLiLuMoVe | 1 » 0 |