Molecule ID: mol5218

SMILES: COC(=O)C12CCC(CC(O)C1)N2C

InChI: InChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.15 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization