Molecule ID: mol4412
SMILES: Cc1cc(C)c2ccccc2n1
InChI: InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.11 | Datawarrior | 1 » 0 |
| 5.11 | OCHEM | 1 » 0 |
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |
| 5.12 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |