Molecule ID: mol2940

SMILES: Clc1ccc(OCc2nn[nH]n2)c(C2CCCCC2)c1

InChI: InChI=1S/C14H17ClN4O/c15-11-6-7-13(20-9-14-16-18-19-17-14)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.87 Novartis 0 » -1
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Charge States and Microspecies Visualization