Molecule ID: mol17924

SMILES: COc1cc(OC)c(N=C2NCCN2)cc1Cl

InChI: InChI=1S/C11H14ClN3O2/c1-16-9-6-10(17-2)8(5-7(9)12)15-11-13-3-4-14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.15 OCHEM 1 » 0
10.15 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization