Molecule ID: mol20677

SMILES: C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)COC(N)=N1

InChI: InChI=1S/C16H15ClN4O2/c1-16(9-23-15(18)21-16)10-3-2-4-12(7-10)20-14(22)13-6-5-11(17)8-19-13/h2-8H,9H2,1H3,(H2,18,21)(H,20,22)/t16-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization