Molecule ID: mol1199
SMILES: COc1ccc2c(N)cccc2c1
InChI: InChI=1S/C11H11NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 1 » 0 |
| 3.90 | Hunt | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |
| 3.90 | AttenGpKa training set | 1 » 0 |
| 3.90 | QSARToolbox | 1 » 0 |