FKKTLib v2021: details for selected entry

AI_71 (14)
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FormulaC14H24N2O
MW236.36
bulk_in/
commentnan
inchikeyDPHSRJYSDOAUHL-NTCAYCPXSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass18,0
nmr_codeKT54128
rack_codeNU00246861
rack_number1
rack_position1B2
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCC1(C)C2CCC1(CN1CCCC1)\C(C2)=N\O
vial_codeNUJD034848
vial_size1_mL
mw236.3532
alogp2.0261
hba2
hbd1
rb2
heavyatomcount17
chiralcentercount0
chiralcentercountallpossible2
ringcount3
psa35.83
estate32.5
mr69.0686
polar27.064
canvasuid14