Molecule ID: mol21377

SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(C2CCCNC2)n1

InChI: InChI=1S/C22H25N5O3S/c1-15-13-20(27(26-15)18-5-4-12-24-14-18)22(28)25-17-10-8-16(9-11-17)19-6-2-3-7-21(19)31(23,29)30/h2-3,6-11,13,18,24H,4-5,12,14H2,1H3,(H,25,28)(H2,23,29,30)

Experimental Macro pKa Values

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