Molecule ID: mol37571
SMILES: O=S(=O)(O)c1ccc(O)c(CNCCN(CCNCc2cc(S(=O)(=O)O)ccc2O)CCNCc2cc(S(=O)(=O)O)ccc2O)c1
InChI: InChI=1S/C27H36N4O12S3/c32-25-4-1-22(44(35,36)37)13-19(25)16-28-7-10-31(11-8-29-17-20-14-23(45(38,39)40)2-5-26(20)33)12-9-30-18-21-15-24(46(41,42)43)3-6-27(21)34/h1-6,13-15,28-30,32-34H,7-12,16-18H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | QSARToolbox | 0 » -1 |