Molecule ID: mol11380
SMILES: O=C(O)CN(CC(=O)O)Cc1ccccn1
InChI: InChI=1S/C10H12N2O4/c13-9(14)6-12(7-10(15)16)5-8-3-1-2-4-11-8/h1-4H,5-7H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | IUPAC digitized pKa | 1 » 0 |
| 2.85 | IUPAC digitized pKa | 1 » 0 |
| 3.06 | IUPAC digitized pKa | 1 » 0 |
| 8.21 | IUPAC digitized pKa | -1 » -2 |
| 8.22 | IUPAC digitized pKa | -1 » -2 |
| 8.25 | IUPAC digitized pKa | -1 » -2 |