Molecule ID: mol8148
SMILES: CN1c2nc(O)nc(O)c2N=C(c2ccccc2)C1c1ccccc1
InChI: InChI=1S/C19H16N4O2/c1-23-16(13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)20-15-17(23)21-19(25)22-18(15)24/h2-11,16H,1H3,(H2,21,22,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.36 | IUPAC digitized pKa | 1 » 0 |
| 9.69 | IUPAC digitized pKa | -1 » -2 |