Molecule ID: mol12300
SMILES: O=P(O)(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(Cl)cc3P(=O)(O)O)c(O)c2c1O
InChI: InChI=1S/C22H17ClN4O14P2S2/c23-11-5-6-13(15(9-11)43(33,34)35)25-27-20-17(45(39,40)41)8-10-7-16(44(36,37)38)19(21(28)18(10)22(20)29)26-24-12-3-1-2-4-14(12)42(30,31)32/h1-9,28-29H,(H2,30,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.00 | IUPAC digitized pKa | 2 » 1 |
| -0.40 | IUPAC digitized pKa | 1 » 0 |
| 0.30 | IUPAC digitized pKa | 0 » -1 |
| 0.60 | IUPAC digitized pKa | 0 » -1 |