Molecule ID: mol13964
SMILES: NC(Cc1nc(I)[nH]c1I)C(=O)O
InChI: InChI=1S/C6H7I2N3O2/c7-4-3(10-6(8)11-4)1-2(9)5(12)13/h2H,1,9H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.72 | Datawarrior | 1 » 0 |
| 8.18 | Datawarrior | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 9.76 | Datawarrior | -1 » -2 |
| 9.76 | OCHEM | -1 » -2 |