Molecule ID: mol19316

SMILES: COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1

InChI: InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization