Molecule ID: mol23796

SMILES: Nc1ccc(C(=O)CCl)cc1

InChI: InChI=1S/C8H8ClNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization