Molecule ID: mol34871
SMILES: COc1cccnc1C(=O)NCC(C)C
InChI: InChI=1S/C11H16N2O2/c1-8(2)7-13-11(14)10-9(15-3)5-4-6-12-10/h4-6,8H,7H2,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | QSARToolbox | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |