Molecule ID: mol3511
SMILES: Nc1ccc2c(c1)Cc1cc(O)ccc1-2
InChI: InChI=1S/C13H11NO/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7,15H,5,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | IUPAC digitized pKa | 1 » 0 |
| 4.88 | Datawarrior | 1 » 0 |
| 4.88 | OCHEM | 1 » 0 |
| 4.88 | OCHEM | 1 » 0 |
| 4.88 | QSARToolbox | 1 » 0 |
| 11.80 | QSARToolbox | 0 » -1 |