Molecule ID: mol34771
SMILES: CC(CNC(=O)c1cccnc1O)(CNC(=O)c1cccnc1O)CNC(=O)c1cccnc1O
InChI: InChI=1S/C23H24N6O6/c1-23(11-27-20(33)14-5-2-8-24-17(14)30,12-28-21(34)15-6-3-9-25-18(15)31)13-29-22(35)16-7-4-10-26-19(16)32/h2-10H,11-13H2,1H3,(H,24,30)(H,25,31)(H,26,32)(H,27,33)(H,28,34)(H,29,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.71 | QSARToolbox | 0 » -1 |