Molecule ID: mol15789
SMILES: NC(Cc1n[nH]c2ccccc12)C(=O)O
InChI: InChI=1S/C10H11N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h1-4,7H,5,11H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | Datawarrior | 2 » 1 |
| 2.20 | OCHEM | 2 » 1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | Datawarrior | 0 » -1 |