Molecule ID: mol17548
SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cccc(S(C)(=O)=O)c3nc12
InChI: InChI=1S/C19H22N4O3S/c1-23(2)11-10-21-19(24)14-8-4-6-12-16(20)13-7-5-9-15(27(3,25)26)18(13)22-17(12)14/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | Baltruschat ChEMBL | 2 » 1 |