FKKTLib v2021: details for selected entry

AI_32 (10)
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FormulaC26H26FN3O9
MW543.51
bulk_in/
commentnan
inchikeyNMJNSWNHBKKSHT-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass1,0
nmr_codeOK21330
rack_codeNU00246861
rack_number1
rack_position1A10
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCOC(=O)C1=CN(C(=O)OC(C)(C)C)C(CC2=CC=C(C=C2)[N+]([O-])=O)(C(C[N+]([O-])=O)C2=CC=CC=C2F)C1=O
vial_codeNUJD034732
vial_size1_mL
mw543.4977
alogp4.527
hba5
hbd0
rb11
heavyatomcount39
chiralcentercount0
chiralcentercountallpossible2
ringcount3
psa159.19
estate116.169
mr135.5416
polar57.23
canvasuid10