Molecule ID: mol18264

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

InChI: InChI=1S/C24H23N5O5S/c1-34-20-12-14(29-35(2,32)33)10-11-19(20)28-22-15-6-3-4-9-18(15)27-23-16(22)7-5-8-17(23)24(31)26-13-21(25)30/h3-12,29H,13H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization