Molecule ID: mol25505
SMILES: O=C(O)Cn1nnc(-c2ccccc2)n1
InChI: InChI=1S/C9H8N4O2/c14-8(15)6-13-11-9(10-12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.13 | AttenGpKa training set | 1 » 0 |
| 3.31 | QSARToolbox | 0 » -1 |