Molecule ID: mol6680

SMILES: CNc1ncn(C)c1C(=O)OC

InChI: InChI=1S/C7H11N3O2/c1-8-6-5(7(11)12-3)10(2)4-9-6/h4,8H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.21 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization