Molecule ID: mol36134
SMILES: O=C(O)CN(CC(=O)O)Cc1cccc(-c2cccc3cccc(-c4cccc(CN(CC(=O)O)CC(=O)O)c4)c23)c1
InChI: InChI=1S/C32H30N2O8/c35-28(36)17-33(18-29(37)38)15-21-5-1-9-24(13-21)26-11-3-7-23-8-4-12-27(32(23)26)25-10-2-6-22(14-25)16-34(19-30(39)40)20-31(41)42/h1-14H,15-20H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | QSARToolbox | 0 » -1 |