Molecule ID: mol3510
SMILES: Nc1ccc2c(c1)Cc1ccc(O)cc1-2
InChI: InChI=1S/C13H11NO/c14-10-2-4-12-9(6-10)5-8-1-3-11(15)7-13(8)12/h1-4,6-7,15H,5,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | IUPAC digitized pKa | 1 » 0 |
| 4.63 | OCHEM | 1 » 0 |
| 4.63 | QSARToolbox | 1 » 0 |
| 11.90 | QSARToolbox | 0 » -1 |