Molecule ID: mol17549

SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cc(S(C)(=O)=O)ccc3nc12

InChI: InChI=1S/C19H22N4O3S/c1-23(2)10-9-21-19(24)14-6-4-5-13-17(20)15-11-12(27(3,25)26)7-8-16(15)22-18(13)14/h4-8,11H,9-10H2,1-3H3,(H2,20,22)(H,21,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.93 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization