FKKTLib v2021: details for selected entry

AI_40 (11)
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FormulaC24H25N3O10
MW515.48
bulk_in/
commentnan
inchikeyBXZAJJYDWHDBQZ-KOSHJBKYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass50,0
nmr_codeOK21557
rack_codeNU00246861
rack_number1
rack_position1A11
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@H](C[N+]([O-])=O)C2=CC=CO2)C1=O
vial_codeNUJD034440
vial_size1_mL
mw515.4694
alogp3.4754
hba6
hbd0
rb11
heavyatomcount37
chiralcentercount2
chiralcentercountallpossible2
ringcount3
psa172.33
estate108.002
mr125.3904
polar53.029
canvasuid11