Molecule ID: mol13422
SMILES: Cc1[nH]c2ccccc2c1CC(=O)O
InChI: InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.67 | Datawarrior | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | OCHEM | 0 » -1 |