FKKTLib v2021: details for selected entry

AI_73 (3)
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FormulaC26H28N2O7
MW480.52
bulk_in/
commentnan
inchikeyOZVYHEAPEOXJAU-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass60,0
nmr_codeKT23528
rack_codeNU00246861
rack_number1
rack_position1A3
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCOC(=O)C1=CN(C(=O)OC(C)(C)C)C(CC2=CC=CC=C2)(C(C[N+]([O-])=O)C2=CC=CC=C2)C1=O
vial_codeNUJD034413
vial_size1_mL
mw480.5097
alogp4.4271
hba5
hbd0
rb10
heavyatomcount35
chiralcentercount0
chiralcentercountallpossible2
ringcount3
psa116.05
estate92.835
mr128.0005
polar55.775
canvasuid3