Molecule ID: mol36115
SMILES: O=C(O)CCN(CCN(CCC(=O)O)CCS(=O)(=O)O)CCS(=O)(=O)O
InChI: InChI=1S/C12H24N2O10S2/c15-11(16)1-3-13(7-9-25(19,20)21)5-6-14(4-2-12(17)18)8-10-26(22,23)24/h1-10H2,(H,15,16)(H,17,18)(H,19,20,21)(H,22,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | QSARToolbox | -1 » -2 |