Molecule ID: mol2558

SMILES: NCCc1c[nH]c2ccccc12

InChI: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 IUPAC digitized pKa 1 » 0
10.20 Datawarrior 1 » 0
10.20 OCHEM 1 » 0
10.20 OCHEM 1 » 0
10.20 Hunt 1 » 0
10.20 OCHEM 1 » 0
10.20 AttenGpKa training set 1 » 0
16.60 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization