Molecule ID: mol29465

SMILES: O=C(O)C1CCCN1C(=O)c1cc(Cl)ccn1

InChI: InChI=1S/C11H11ClN2O3/c12-7-3-4-13-8(6-7)10(15)14-5-1-2-9(14)11(16)17/h3-4,6,9H,1-2,5H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization