Molecule ID: mol29623

SMILES: CCCCCC1(C)NNC(=O)NC1=O

InChI: InChI=1S/C9H17N3O2/c1-3-4-5-6-9(2)7(13)10-8(14)11-12-9/h12H,3-6H2,1-2H3,(H2,10,11,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization