Molecule ID: mol1234

SMILES: CN1CCCC(=O)[C@H](O)CCC1

InChI: InChI=1S/C9H17NO2/c1-10-6-2-4-8(11)9(12)5-3-7-10/h8,11H,2-7H2,1H3/t8-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization