Molecule ID: mol21034

SMILES: CCCn1c(=O)c2nc(-c3ccccc3N)[nH]c2n(CCC)c1=O

InChI: InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-7-5-6-8-12(11)18/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.10 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization