Molecule ID: mol29871
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | AttenGpKa training set | 1 » 0 |
| 5.49 | AttenGpKa training set | 0 » -1 |