Molecule ID: mol21205

SMILES: O=C(O)c1nc(C2CCCCC2)nc(O)c1O

InChI: InChI=1S/C11H14N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h6,14H,1-5H2,(H,16,17)(H,12,13,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 Baltruschat ChEMBL -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization