Molecule ID: mol13421
SMILES: O=C(O)CCc1c[nH]c2ccccc12
InChI: InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | Datawarrior | 0 » -1 |
| 6.08 | QSARToolbox | 0 » -1 |
| 6.15 | QSARToolbox | 0 » -1 |