Molecule ID: mol1594
SMILES: COC(=O)c1ccnc(N)c1
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | OCHEM | 1 » 0 |
| 5.21 | Hunt | 1 » 0 |
| 5.21 | OCHEM | 1 » 0 |