Molecule ID: mol6333

SMILES: O=C(O)C1CCCC(C(=O)O)N1

InChI: InChI=1S/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.80 OCHEM 0 » -1
2.54 IUPAC digitized pKa 1 » 0
2.87 IUPAC digitized pKa 1 » 0
2.87 IUPAC digitized pKa 1 » 0
2.87 AttenGpKa training set 1 » 0
9.92 IUPAC digitized pKa -1 » -2
9.92 IUPAC digitized pKa -1 » -2
9.92 AttenGpKa training set -1 » -2
9.92 OCHEM -1 » -2
10.12 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization