Molecule ID: mol21532

SMILES: O=C(c1cccc(Cl)c1)c1ccc2n1CCC2C(=O)O

InChI: InChI=1S/C15H12ClNO3/c16-10-3-1-2-9(8-10)14(18)13-5-4-12-11(15(19)20)6-7-17(12)13/h1-5,8,11H,6-7H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization