Molecule ID: mol20413
SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCCCCO)ccc3OCC)nc12
InChI: InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | Baltruschat ChEMBL | 1 » 0 |