Molecule ID: mol21535

SMILES: O=C(c1ccc2n1CCC2C(=O)O)C1CCC1

InChI: InChI=1S/C13H15NO3/c15-12(8-2-1-3-8)11-5-4-10-9(13(16)17)6-7-14(10)11/h4-5,8-9H,1-3,6-7H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization