FKKTLib v2021: details for selected entry

AI_47_(5j) (2)
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FormulaC19H23NO6
MW361.39
bulk_in/
commentnan
inchikeySPHCZQJPHPYCKE-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass59,0
nmr_codeOK21489
rack_codeNU00246861
rack_number1
rack_position1A2
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCOC(=O)C1=CN(C(=O)OC(C)(C)C)C(CC2=CC=C(OC)C=C2)=C1O
vial_codeNUJD034680
vial_size1_mL
mw361.389
alogp3.6769
hba6
hbd1
rb7
heavyatomcount26
chiralcentercount0
chiralcentercountallpossible0
ringcount2
psa86.99
estate66.919
mr93.1443
polar42.708
canvasuid2