Molecule ID: mol15757
SMILES: O=C(O)CCCc1c[nH]c2ccccc12
InChI: InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | QSARToolbox | 0 » -1 |
| 4.82 | Datawarrior | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 6.15 | QSARToolbox | 0 » -1 |