Molecule ID: mol3508
SMILES: Nc1ccc2c(c1O)Cc1ccccc1-2
InChI: InChI=1S/C13H11NO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,15H,7,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.82 | IUPAC digitized pKa | 1 » 0 |
| 4.82 | Datawarrior | 1 » 0 |
| 4.82 | OCHEM | 1 » 0 |
| 4.82 | QSARToolbox | 1 » 0 |
| 4.82 | OCHEM | 1 » 0 |
| 11.25 | QSARToolbox | 0 » -1 |