Molecule ID: mol16715

SMILES: O=C(O)CCC1=CCNCC1

InChI: InChI=1S/C8H13NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3,9H,1-2,4-6H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization