Molecule ID: mol17417

SMILES: O=c1[nH]c2c(O)ccc(CCNCCCSCCOCCc3ccccc3)c2s1

InChI: InChI=1S/C22H28N2O3S2/c25-19-8-7-18(21-20(19)24-22(26)29-21)9-12-23-11-4-15-28-16-14-27-13-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.00 OCHEM 1 » 0
10.19 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization