FKKTLib v2021: details for selected entry

AI_3 (22)
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FormulaC19H24N2O5
MW360.41
bulk_in/
commentnan
inchikeyKDHRDYJSRIQRJT-HNNXBMFYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass8,0
nmr_codeOK20205
rack_codeNU00246861
rack_number1
rack_position1B10
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCOC(=O)CC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)OC(C)(C)C
vial_codeNUJD034811
vial_size1_mL
mw360.4043
alogp2.4387
hba5
hbd2
rb9
heavyatomcount26
chiralcentercount1
chiralcentercountallpossible1
ringcount2
psa97.49
estate66.585
mr95.0297
polar41.975
canvasuid22