Molecule ID: mol11377
SMILES: CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21
InChI: InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.80 | IUPAC digitized pKa | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |