Molecule ID: mol18991

SMILES: CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2

InChI: InChI=1S/C19H26N6O/c1-3-15-17(18(20)24-19(21)23-15)14-7-6-13-5-4-9-25(16(13)11-14)10-8-22-12(2)26/h6-7,11H,3-5,8-10H2,1-2H3,(H,22,26)(H4,20,21,23,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.00 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization