Molecule ID: mol13341

SMILES: C=CCN(C)CCCNC(=O)/C=N/O

InChI: InChI=1S/C9H17N3O2/c1-3-6-12(2)7-4-5-10-9(13)8-11-14/h3,8,14H,1,4-7H2,2H3,(H,10,13)/b11-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization