Molecule ID: mol18272

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(C)O)cccc12

InChI: InChI=1S/C25H26N4O5S/c1-15(30)14-26-25(31)19-9-6-8-18-23(17-7-4-5-10-20(17)27-24(18)19)28-21-12-11-16(13-22(21)34-2)29-35(3,32)33/h4-13,15,29-30H,14H2,1-3H3,(H,26,31)(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization