Molecule ID: mol21028

SMILES: CN1CCNC(c2nc(N)no2)C1

InChI: InChI=1S/C7H13N5O/c1-12-3-2-9-5(4-12)6-10-7(8)11-13-6/h5,9H,2-4H2,1H3,(H2,8,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization