Molecule ID: mol35423

SMILES: CCCCc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C17H23N5/c1-2-3-5-13-7-8-15-16(10-13)22-17(21-15)19-9-4-6-14-11-18-12-20-14/h7-8,10-12H,2-6,9H2,1H3,(H,18,20)(H2,19,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization