Molecule ID: mol18771

SMILES: Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1

InChI: InChI=1S/C24H24N6O5S/c1-14-2-5-20(29-36(33,34)17-4-7-21-16(11-17)8-9-35-21)24(32)30(14)13-22(31)26-12-15-3-6-19-18(10-15)23(25)28-27-19/h2-7,10-11,29H,8-9,12-13H2,1H3,(H,26,31)(H3,25,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization