Molecule ID: mol15542
SMILES: Cc1c(Cn2ccnc2)oc2ccc(C(=O)O)cc12
InChI: InChI=1S/C14H12N2O3/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | Datawarrior | 1 » 0 |
| 3.91 | QSARToolbox | 1 » 0 |
| 3.91 | QSARToolbox | 1 » 0 |
| 3.91 | OCHEM | 1 » 0 |
| 6.08 | OCHEM | 0 » -1 |
| 6.08 | Datawarrior | 0 » -1 |