Molecule ID: mol32615
SMILES: COc1ccc(C=Nc2ncc3nc[nH]c3n2)cc1
InChI: InChI=1S/C13H11N5O/c1-19-10-4-2-9(3-5-10)6-14-13-15-7-11-12(18-13)17-8-16-11/h2-8H,1H3,(H,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | QSARToolbox | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |