Molecule ID: mol5149
SMILES: Nc1ccc2cc3c(ccc4ccccc43)nc2c1
InChI: InChI=1S/C17H12N2/c18-13-7-5-12-9-15-14-4-2-1-3-11(14)6-8-16(15)19-17(12)10-13/h1-10H,18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | IUPAC digitized pKa | 1 » 0 |
| 7.38 | QSARToolbox | 1 » 0 |
| 7.42 | Datawarrior | 1 » 0 |
| 7.42 | AttenGpKa training set | 1 » 0 |
| 7.42 | QSARToolbox | 1 » 0 |
| 7.42 | OCHEM | 1 » 0 |