Molecule ID: mol23788

SMILES: OCCCNc1ccc(O)cc1

InChI: InChI=1S/C9H13NO2/c11-7-1-6-10-8-2-4-9(12)5-3-8/h2-5,10-12H,1,6-7H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.69 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization