Molecule ID: mol18741

SMILES: CCCC12CCC(=O)C=C1c1ccc(OCC(=O)O)cc1C2

InChI: InChI=1S/C18H20O4/c1-2-6-18-7-5-13(19)9-16(18)15-4-3-14(8-12(15)10-18)22-11-17(20)21/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization