Molecule ID: mol18275

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

InChI: InChI=1S/C25H26N4O5S/c1-34-22-15-16(29-35(2,32)33)11-12-21(22)28-23-17-7-3-4-10-20(17)27-24-18(23)8-5-9-19(24)25(31)26-13-6-14-30/h3-5,7-12,15,29-30H,6,13-14H2,1-2H3,(H,26,31)(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization