Molecule ID: mol22707

SMILES: NCCc1ccc(C(=O)O)cc1

InChI: InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization