Molecule ID: mol20822

SMILES: Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1

InChI: InChI=1S/C17H19ClN6S/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)

Experimental Macro pKa Values

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