Molecule ID: mol18221

SMILES: O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)C(CC1CCCC1)C2

InChI: InChI=1S/C17H18Cl2O4/c18-15-12(23-8-13(20)21)7-10-6-11(5-9-3-1-2-4-9)17(22)14(10)16(15)19/h7,9,11H,1-6,8H2,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization