Molecule ID: mol5093
SMILES: c1ccc(Oc2ccnc3c2ccc2c(Oc4ccccc4)ccnc23)cc1
InChI: InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)27-21-13-15-25-23-19(21)11-12-20-22(14-16-26-24(20)23)28-18-9-5-2-6-10-18/h1-16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | Datawarrior | 1 » 0 |
| 5.34 | AttenGpKa training set | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |