Molecule ID: mol29733
SMILES: Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
InChI: InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.99 | AttenGpKa training set | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |