Molecule ID: mol29461

SMILES: N#Cc1ccnc(C(=O)N2CCCC2C(=O)O)c1

InChI: InChI=1S/C12H11N3O3/c13-7-8-3-4-14-9(6-8)11(16)15-5-1-2-10(15)12(17)18/h3-4,6,10H,1-2,5H2,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.60 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization