Molecule ID: mol37931
SMILES: Nc1nc(N)nc(Nc2cc(S(=O)(=O)O)cc3c2C(=O)/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C(S(=O)(=O)O)=C3)n1
InChI: InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-12-7-11(39(32,33)34)5-8-6-13(40(35,36)37)15(16(28)14(8)12)27-26-9-1-3-10(4-2-9)38(29,30)31/h1-7,26H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.35 | QSARToolbox | -3 » -4 |