Molecule ID: mol37152
SMILES: O=P(O)(O)CCN1CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CC1
InChI: InChI=1S/C16H40N4O12P4/c21-33(22,23)13-9-17-1-2-18(10-14-34(24,25)26)5-6-20(12-16-36(30,31)32)8-7-19(4-3-17)11-15-35(27,28)29/h1-16H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 4 » 3 |