Molecule ID: mol3791
SMILES: Cc1cc(C)c(C)nc1C
InChI: InChI=1S/C9H13N/c1-6-5-7(2)9(4)10-8(6)3/h5H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 8.19 | IUPAC digitized pKa | 1 » 0 |