Molecule ID: mol28095

SMILES: CCc1cccc(CC)c1/N=C(\NC)N(C)C

InChI: InChI=1S/C14H23N3/c1-6-11-9-8-10-12(7-2)13(11)16-14(15-3)17(4)5/h8-10H,6-7H2,1-5H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization