FKKTLib v2021: details for selected entry

AI_67 (6)
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FormulaC27H31F6N3O2
MW543.56
bulk_in/
commentnan
inchikeyCUZOFHLUPDTZHG-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass280,0
nmr_codeNO_NMR_DATA
rack_codeNU00246861
rack_number1
rack_position1A6
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smiles[H]C1(CC2CCC1(CNC1=C(NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C1=O)C2(C)C)N1CCCC1
vial_codeNUJD034565
vial_size1_mL
mw543.5444
alogp6.1072
hba2
hbd2
rb9
heavyatomcount38
chiralcentercount0
chiralcentercountallpossible3
ringcount5
psa61.44
estate111.835
mr134.4921
polar54.8
canvasuid6