Molecule ID: mol36315

SMILES: O=C(O)Cn1nnnc1CCCn1nnc(-c2ccccc2)n1

InChI: InChI=1S/C13H14N8O2/c22-12(23)9-20-11(14-17-19-20)7-4-8-21-16-13(15-18-21)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.95 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization