Molecule ID: mol4521
SMILES: CC(C)c1nc2ccccc2[nH]1
InChI: InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.21 | IUPAC digitized pKa | 1 » 0 |
| 6.21 | OCHEM | 1 » 0 |
| 6.21 | OCHEM | 1 » 0 |
| 6.23 | Datawarrior | 1 » 0 |
| 6.23 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.23 | OCHEM | 1 » 0 |
| 6.23 | AttenGpKa training set | 1 » 0 |
| 6.23 | QSARToolbox | 1 » 0 |