Molecule ID: mol6400

SMILES: Oc1ccnc(Cl)c1

InChI: InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 QSARToolbox 1 » 0
6.84 OCHEM 0 » -1
6.84 OCHEM 0 » -1
6.84 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization