Molecule ID: mol17786

SMILES: O=C(Nc1cc(Cl)ccc1O)OCC(Cl)Cl

InChI: InChI=1S/C9H8Cl3NO3/c10-5-1-2-7(14)6(3-5)13-9(15)16-4-8(11)12/h1-3,8,14H,4H2,(H,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization