Molecule ID: mol1267
SMILES: CN(C)Cc1ccccn1
InChI: InChI=1S/C8H12N2/c1-10(2)7-8-5-3-4-6-9-8/h3-6H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.58 | QSARToolbox | 2 » 1 |
| 2.58 | IUPAC digitized pKa | 2 » 1 |
| 2.64 | AttenGpKa training set | 2 » 1 |
| 8.12 | QSARToolbox | 1 » 0 |
| 8.12 | IUPAC digitized pKa | 1 » 0 |
| 8.12 | OCHEM | 1 » 0 |
| 8.12 | Hunt | 1 » 0 |
| 8.12 | OCHEM | 1 » 0 |
| 8.12 | OCHEM | 1 » 0 |
| 8.16 | AttenGpKa training set | 1 » 0 |