Molecule ID: mol19975
SMILES: Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(NC(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O
InChI: InChI=1S/C20H33N6O7PS/c1-12(2)24-34(30,31-7-8-35-18(28)20(4,5)6)32-11-15-14(23-25-21)9-16(33-15)26-10-13(3)17(27)22-19(26)29/h10,12,14-16H,7-9,11H2,1-6H3,(H,24,30)(H,22,27,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.63 | Baltruschat ChEMBL | -1 » -2 |