Molecule ID: mol386

SMILES: O=C1CCCN1CC#CCN1CCCC1

InChI: InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.40 OCHEM 1 » 0
8.40 AvLiLuMoVe 1 » 0
8.40 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization