Molecule ID: mol13392
SMILES: Cn1c(CCl)nc2c(O)ccc(O)c21
InChI: InChI=1S/C9H9ClN2O2/c1-12-7(4-10)11-8-5(13)2-3-6(14)9(8)12/h2-3,13-14H,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | Datawarrior | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | Datawarrior | 0 » -1 |