Molecule ID: mol1155

SMILES: CNCCCCc1ccccc1

InChI: InChI=1S/C11H17N/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.76 Datawarrior 1 » 0
10.76 OCHEM 1 » 0
10.76 AttenGpKa training set 1 » 0
10.80 IUPAC digitized pKa 1 » 0
10.80 OCHEM 1 » 0
10.80 Hunt 1 » 0
10.80 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization