Molecule ID: mol6907
SMILES: COc1cc(C)n(-c2ccccc2)n1
InChI: InChI=1S/C11H12N2O/c1-9-8-11(14-2)12-13(9)10-6-4-3-5-7-10/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.17 | AttenGpKa training set | 1 » 0 |
| 1.50 | Datawarrior | 1 » 0 |
| 1.50 | OCHEM | 1 » 0 |