Molecule ID: mol18438

SMILES: CCc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1

InChI: InChI=1S/C18H23N5/c1-6-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.40 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization