Molecule ID: mol18169

SMILES: CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1

InChI: InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)

Experimental Macro pKa Values

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