Molecule ID: mol17095

SMILES: COc1cccc(-c2cccc(C3(C)N=C(C)C(N)=N3)c2)c1

InChI: InChI=1S/C18H19N3O/c1-12-17(19)21-18(2,20-12)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3/h4-11H,1-3H3,(H2,19,21)

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