Molecule ID: mol31667

SMILES: CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1

InChI: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization