Molecule ID: mol3509
SMILES: Nc1ccc2c(c1)Cc1cccc(O)c1-2
InChI: InChI=1S/C13H11NO/c14-10-4-5-11-9(7-10)6-8-2-1-3-12(15)13(8)11/h1-5,7,15H,6,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | Datawarrior | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.73 | QSARToolbox | 1 » 0 |
| 11.90 | QSARToolbox | 0 » -1 |