Molecule ID: mol17820
SMILES: CCOP(=O)(OCC)C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChI: InChI=1S/C33H48NO3P2/c1-6-36-39(35,37-7-2)32(33(3,4)5)34-27-19-8-9-20-28-38(29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31/h10-18,21-26,32,34H,6-9,19-20,27-28H2,1-5H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.63 | OCHEM | 2 » 1 |
| 5.63 | Baltruschat ChEMBL | 2 » 1 |