Molecule ID: mol20163

SMILES: N#Cc1ccc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2c1

InChI: InChI=1S/C25H25FN6O3/c26-19-14-31(9-10-32-21-11-16(12-27)1-2-17(21)3-6-24(32)34)8-7-20(19)28-13-18-4-5-22-25(29-18)30-23(33)15-35-22/h1-6,11,19-20,28H,7-10,13-15H2,(H,29,30,33)/t19-,20+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization