Molecule ID: mol18724

SMILES: CCCC12CCC(=O)C=C1c1c(cc(OCCCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C20H22Cl2O4/c1-2-6-20-7-5-13(23)10-14(20)17-12(11-20)9-15(18(21)19(17)22)26-8-3-4-16(24)25/h9-10H,2-8,11H2,1H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization