Molecule ID: mol16708

SMILES: CN(C)c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cn1

InChI: InChI=1S/C16H14ClN3O2/c1-20(2)15-4-3-9(7-19-15)10-5-11-12(16(21)22)8-18-14(11)6-13(10)17/h3-8,18H,1-2H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization