Molecule ID: mol37155
SMILES: O=P(O)(O)CN(Cc1cccc(CN(CP(=O)(O)O)CP(=O)(O)O)c1)CP(=O)(O)O
InChI: InChI=1S/C12H24N2O12P4/c15-27(16,17)7-13(8-28(18,19)20)5-11-2-1-3-12(4-11)6-14(9-29(21,22)23)10-30(24,25)26/h1-4H,5-10H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | QSARToolbox | -3 » -4 |