Molecule ID: mol18401

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C(=O)NCC(N)=O)cccc12

InChI: InChI=1S/C24H22ClN5O5S/c1-35-20-11-14(30-36(2,33)34)7-9-18(20)28-22-15-8-6-13(25)10-19(15)29-23-16(22)4-3-5-17(23)24(32)27-12-21(26)31/h3-11,30H,12H2,1-2H3,(H2,26,31)(H,27,32)(H,28,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.50 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization