Molecule ID: mol37122
SMILES: O=P(O)(CN1CCCN(CP(=O)(O)c2ccccc2)CCN(CP(=O)(O)c2ccccc2)CCCN(CP(=O)(O)c2ccccc2)CC1)c1ccccc1
InChI: InChI=1S/C38H52N4O8P4/c43-51(44,35-15-5-1-6-16-35)31-39-23-13-24-41(33-53(47,48)37-19-9-3-10-20-37)29-30-42(34-54(49,50)38-21-11-4-12-22-38)26-14-25-40(28-27-39)32-52(45,46)36-17-7-2-8-18-36/h1-12,15-22H,13-14,23-34H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | QSARToolbox | 1 » 0 |