Molecule ID: mol7915
SMILES: CC(C)c1ncnc2ccccc12
InChI: InChI=1S/C11H12N2/c1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.76 | QSARToolbox | 1 » 0 |
| 2.76 | IUPAC digitized pKa | 1 » 0 |
| 2.89 | OCHEM | 1 » 0 |
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |