Molecule ID: mol25849

SMILES: CC(C)NC1=NC(ON2CCCCC2=O)NC(NC2CC2)=N1

InChI: InChI=1S/C14H24N6O2/c1-9(2)15-12-17-13(16-10-6-7-10)19-14(18-12)22-20-8-4-3-5-11(20)21/h9-10,14H,3-8H2,1-2H3,(H3,15,16,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization