Molecule ID: mol17302
SMILES: O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCCC2)cc1F
InChI: InChI=1S/C24H25ClFN5O3S2/c25-22-6-4-18(35-22)8-14-36(33,34)28-20-7-12-31(24(20)32)21-5-3-17(15-19(21)26)30-13-9-27-23(30)16-29-10-1-2-11-29/h3-6,8-9,13-15,20,28H,1-2,7,10-12,16H2/b14-8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.95 | Baltruschat ChEMBL | 1 » 0 |