Molecule ID: mol23728

SMILES: N#Cc1ccc(NCO)cc1

InChI: InChI=1S/C8H8N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4,10-11H,6H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.10 AttenGpKa training set 1 » 0
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Charge States and Microspecies Visualization