Molecule ID: mol3053
SMILES: COc1cccc(C[C@H](C)N)c1
InChI: InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.86 | OCHEM | 1 » 0 |
| 9.86 | OCHEM | 1 » 0 |
| 9.86 | OCHEM | 1 » 0 |
| 9.86 | AvLiLuMoVe | 1 » 0 |