Molecule ID: mol18437

SMILES: CCc1ccc2c(C)nc(NC3=NC(C)(C)CC(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/h7-9H,6,10H2,1-5H3,(H,20,21,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization