Molecule ID: mol1197

SMILES: Nc1cc(I)cc2ccccc12

InChI: InChI=1S/C10H8IN/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H,12H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.82 QSARToolbox 1 » 0
2.82 IUPAC digitized pKa 1 » 0
2.82 Hunt 1 » 0
2.82 OCHEM 1 » 0
2.82 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization