FKKTLib v2021: details for selected entry

AI_61 (4)
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FormulaC15H28N2O2
MW268.4
bulk_in/
commentnan
inchikeyVSXKAEUVJZHHTK-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass3,0
nmr_codeOK22836
rack_codeNU00246861
rack_number1
rack_position1A4
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smiles[H]C1(N)CC2CCC1(CNC(=O)OC(C)(C)C)C2(C)C
vial_codeNUJD034343
vial_size1_mL
mw268.395
alogp2.0958
hba2
hbd1
rb4
heavyatomcount19
chiralcentercount0
chiralcentercountallpossible3
ringcount2
psa64.35
estate41.083
mr75.2748
polar30.176
canvasuid4