Molecule ID: mol37063
SMILES: COc1cc(N(CC(=O)O)CC(=O)O)c2nc(COc3cc(C)ccc3N(CC(=O)O)CC(=O)O)ccc2c1
InChI: InChI=1S/C26H27N3O10/c1-15-3-6-19(28(10-22(30)31)11-23(32)33)21(7-15)39-14-17-5-4-16-8-18(38-2)9-20(26(16)27-17)29(12-24(34)35)13-25(36)37/h3-9H,10-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 1 » 0 |