Molecule ID: mol11600
SMILES: O=C(O)CCC(=O)NOCc1ccccc1
InChI: InChI=1S/C11H13NO4/c13-10(6-7-11(14)15)12-16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |
| 10.20 | Datawarrior | -1 » -2 |
| 10.20 | AttenGpKa training set | -1 » -2 |