Molecule ID: mol17818
SMILES: CCOP(=O)(OCC)C(C)(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCC(C)C
InChI: InChI=1S/C31H44NO3P2/c1-6-34-37(33,35-7-2)31(5,32-26-27(3)4)24-17-25-36(28-18-11-8-12-19-28,29-20-13-9-14-21-29)30-22-15-10-16-23-30/h8-16,18-23,27,32H,6-7,17,24-26H2,1-5H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.39 | OCHEM | 2 » 1 |
| 5.39 | Baltruschat ChEMBL | 2 » 1 |