Molecule ID: mol15501
SMILES: O=C(O)CN(CC(=O)O)Cc1nc2ccccc2[nH]1
InChI: InChI=1S/C12H13N3O4/c16-11(17)6-15(7-12(18)19)5-10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-7H2,(H,13,14)(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | Datawarrior | 0 » -1 |
| 6.87 | QSARToolbox | -1 » -2 |
| 6.87 | OCHEM | -1 » -2 |
| 6.87 | Datawarrior | -1 » -2 |