Molecule ID: mol35730
SMILES: O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=O)OCc2ccccc2)n1)OCc1ccccc1
InChI: InChI=1S/C24H27N7O6/c32-21(25-11-13-27-23(34)36-15-17-7-3-1-4-8-17)19-29-20(31-30-19)22(33)26-12-14-28-24(35)37-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,32)(H,26,33)(H,27,34)(H,28,35)(H,29,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | QSARToolbox | 1 » 0 |