Molecule ID: mol24311

SMILES: CCCNCC(O)c1ccc(O)c(O)c1

InChI: InChI=1S/C11H17NO3/c1-2-5-12-7-11(15)8-3-4-9(13)10(14)6-8/h3-4,6,11-15H,2,5,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization