Molecule ID: mol34528

SMILES: c1nc(CCCNc2nc3cc4c(cc3[nH]2)OCO4)c[nH]1

InChI: InChI=1S/C14H15N5O2/c1(2-9-6-15-7-17-9)3-16-14-18-10-4-12-13(21-8-20-12)5-11(10)19-14/h4-7H,1-3,8H2,(H,15,17)(H2,16,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization