Molecule ID: mol38252
SMILES: O=C(NCCN(CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1O
InChI: InChI=1S/C27H30N4O6/c32-22-10-4-1-7-19(22)25(35)28-13-16-31(17-14-29-26(36)20-8-2-5-11-23(20)33)18-15-30-27(37)21-9-3-6-12-24(21)34/h1-12,32-34H,13-18H2,(H,28,35)(H,29,36)(H,30,37)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | QSARToolbox | 1 » 0 |