Molecule ID: mol19300

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

InChI: InChI=1S/C18H18ClN5O2/c1-18(10-24(2)17(26)15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization