Molecule ID: mol13080

SMILES: OCNc1ccc(Cl)cc1

InChI: InChI=1S/C7H8ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4,9-10H,5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization