Molecule ID: mol7845
SMILES: Cc1nc(C(C)(C)C)nc2ccccc12
InChI: InChI=1S/C13H16N2/c1-9-10-7-5-6-8-11(10)15-12(14-9)13(2,3)4/h5-8H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 1 » 0 |
| 3.82 | IUPAC digitized pKa | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |