FKKTLib v2021: details for selected entry

AI_66 (13)
edit copy erase

FormulaC14H9F6NO3
MW353.23
bulk_in/
commentnan
inchikeyRLHQJHDRAOFAOG-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass74,0
nmr_codeOK23091
rack_codeNU00246861
rack_number1
rack_position1B1
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCCOC1=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C1=O
vial_codeNUJD034459
vial_size1_mL
mw353.2166
alogp4.4071
hba3
hbd1
rb6
heavyatomcount24
chiralcentercount0
chiralcentercountallpossible0
ringcount2
psa55.4
estate91.669
mr71.095
polar31.202
canvasuid13