Molecule ID: mol21069

SMILES: COc1cccc(-c2cccc(C3(C)N=C(N)CN3C(C)=O)c2)c1

InChI: InChI=1S/C19H21N3O2/c1-13(23)22-12-18(20)21-19(22,2)16-8-4-6-14(10-16)15-7-5-9-17(11-15)24-3/h4-11H,12H2,1-3H3,(H2,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization