Molecule ID: mol17255
SMILES: COC[n+]1ccn(C)c1/C=N/O
InChI: InChI=1S/C7H11N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-5H,6H2,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | Baltruschat ChEMBL | 1 » 0 |
| 7.96 | OCHEM | 1 » 0 |
| 7.96 | Baltruschat ChEMBL | 1 » 0 |