Molecule ID: mol17819
SMILES: CCOP(=O)(OCC)C(C)(N)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C27H36NO3P2/c1-4-30-33(29,31-5-2)27(3,28)22-15-23-32(24-16-9-6-10-17-24,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-14,16-21H,4-5,15,22-23,28H2,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | OCHEM | 2 » 1 |
| 5.13 | Baltruschat ChEMBL | 2 » 1 |