Molecule ID: mol29445

SMILES: O=C(O)C1CCCN1C(=O)c1ccccn1

InChI: InChI=1S/C11H12N2O3/c14-10(8-4-1-2-6-12-8)13-7-3-5-9(13)11(15)16/h1-2,4,6,9H,3,5,7H2,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization