Molecule ID: mol1277
SMILES: CNCc1ccccn1
InChI: InChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | OCHEM | 2 » 1 |
| 2.91 | IUPAC digitized pKa | 2 » 1 |
| 2.91 | Datawarrior | 2 » 1 |
| 2.91 | QSARToolbox | 2 » 1 |
| 2.92 | IUPAC digitized pKa | 2 » 1 |
| 2.92 | QSARToolbox | 2 » 1 |
| 8.62 | IUPAC digitized pKa | 1 » 0 |
| 8.82 | IUPAC digitized pKa | 1 » 0 |
| 8.82 | OCHEM | 1 » 0 |
| 8.82 | OCHEM | 1 » 0 |
| 8.82 | Hunt | 1 » 0 |
| 8.82 | OCHEM | 1 » 0 |
| 8.96 | Datawarrior | 1 » 0 |
| 8.96 | OCHEM | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.20 | OCHEM | 1 » 0 |
| 9.30 | IUPAC digitized pKa | 1 » 0 |