Molecule ID: mol15062
SMILES: O=C1Nc2cncnc2NC1=C1Nc2ncncc2NC1=O
InChI: InChI=1S/C12H8N8O2/c21-11-7(19-9-5(17-11)1-13-3-15-9)8-12(22)18-6-2-14-4-16-10(6)20-8/h1-4H,(H,17,21)(H,18,22)(H,13,15,19)(H,14,16,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | Datawarrior | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |