Molecule ID: mol36525

SMILES: CNC(=O)C1=C(C(=O)O)CCCC1

InChI: InChI=1S/C9H13NO3/c1-10-8(11)6-4-2-3-5-7(6)9(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization