Molecule ID: mol1177
SMILES: Nc1ccc2c(c1)Cc1ccccc1-2
InChI: InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | OCHEM | 1 » 0 |
| 4.54 | AttenGpKa training set | 1 » 0 |
| 4.64 | QSARToolbox | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | OCHEM | 1 » 0 |
| 4.64 | Hunt | 1 » 0 |