Molecule ID: mol6629
SMILES: CC(=O)NCCc1nc[nH]c1I
InChI: InChI=1S/C7H10IN3O/c1-5(12)9-3-2-6-7(8)11-4-10-6/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 11.53 | IUPAC digitized pKa | 0 » -1 |