Molecule ID: mol1743
SMILES: Cc1ccc(CN)cn1
InChI: InChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | IUPAC digitized pKa | 2 » 1 |
| 2.90 | IUPAC digitized pKa | 2 » 1 |
| 2.90 | IUPAC digitized pKa | 2 » 1 |
| 2.90 | IUPAC digitized pKa | 2 » 1 |
| 8.48 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | Hunt | 1 » 0 |
| 8.76 | OCHEM | 1 » 0 |
| 8.83 | IUPAC digitized pKa | 1 » 0 |
| 9.18 | IUPAC digitized pKa | 1 » 0 |