Molecule ID: mol21378

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

InChI: InChI=1S/C21H25N5O3S/c1-15-14-19(26(25-15)13-5-4-12-22)21(27)24-17-10-8-16(9-11-17)18-6-2-3-7-20(18)30(23,28)29/h2-3,6-11,14H,4-5,12-13,22H2,1H3,(H,24,27)(H2,23,28,29)

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