Molecule ID: mol21094

SMILES: CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1C(CC)C1CC1

InChI: InChI=1S/C20H21Cl2N3/c1-3-17(12-5-6-12)25-18(4-2)24-19-15(9-10-23-20(19)25)14-8-7-13(21)11-16(14)22/h7-12,17H,3-6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization