Molecule ID: mol18987

SMILES: CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2

InChI: InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)

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