Molecule ID: mol25537

SMILES: COC(=O)c1ncn(C2CCCCC2)c1N

InChI: InChI=1S/C11H17N3O2/c1-16-11(15)9-10(12)14(7-13-9)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization