Molecule ID: mol23823

SMILES: OCCCCCNc1ccccc1

InChI: InChI=1S/C11H17NO/c13-10-6-2-5-9-12-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization