Molecule ID: mol20669

SMILES: CN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1

InChI: InChI=1S/C18H20ClN5O/c1-18(11-24(2)10-16(20)23-18)12-4-3-5-14(8-12)22-17(25)15-7-6-13(19)9-21-15/h3-9H,10-11H2,1-2H3,(H2,20,23)(H,22,25)

Experimental Macro pKa Values

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