Molecule ID: mol21433
SMILES: Cn1cnc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21
InChI: InChI=1S/C8H6N4O4/c1-10-4-9-5-2-7(11(13)14)8(12(15)16)3-6(5)10/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | OCHEM | 1 » 0 |
| 1.60 | Baltruschat ChEMBL | 1 » 0 |
| 1.60 | AttenGpKa training set | 1 » 0 |