Molecule ID: mol17419

SMILES: Oc1nc2c(O)ccc(CCNCCCOCCOCCc3ccccc3)c2s1

InChI: InChI=1S/C22H28N2O4S/c25-19-8-7-18(21-20(19)24-22(26)29-21)9-12-23-11-4-13-27-15-16-28-14-10-17-5-2-1-3-6-17/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
7.65 Baltruschat ChEMBL 1 » 0
8.00 OCHEM 1 » 0
9.23 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization