Molecule ID: mol8145
SMILES: OCCN1c2nc(O)nc(O)c2N=C(c2ccccc2)C1c1ccccc1
InChI: InChI=1S/C20H18N4O3/c25-12-11-24-17(14-9-5-2-6-10-14)15(13-7-3-1-4-8-13)21-16-18(24)22-20(27)23-19(16)26/h1-10,17,25H,11-12H2,(H2,22,23,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.13 | IUPAC digitized pKa | 1 » 0 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |