Molecule ID: mol1268
SMILES: CN(C)Cc1cccnc1
InChI: InChI=1S/C8H12N2/c1-10(2)7-8-4-3-5-9-6-8/h3-6H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.17 | IUPAC digitized pKa | 2 » 1 |
| 3.17 | OCHEM | 2 » 1 |
| 3.17 | QSARToolbox | 2 » 1 |
| 3.23 | AttenGpKa training set | 2 » 1 |
| 7.76 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | Hunt | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.04 | AttenGpKa training set | 1 » 0 |