Molecule ID: mol17303
SMILES: CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1
InChI: InChI=1S/C22H23ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,8-9,11-13,18,26H,7,10,14H2,1-2H3/b12-8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.26 | Baltruschat ChEMBL | 1 » 0 |