FKKTLib v2021: details for selected entry

AI_60 (12)
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FormulaC10H16N4O
MW208.26
InChIKeyAKTZXZQQSAAECB-MDWZMJQESA-N
bulk_in/
commentnan
inchikeyAKTZXZQQSAAECB-MDWZMJQESA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass160,0
nmr_codeOK22802
rack_codeNU00246861
rack_number1
rack_position1A12
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCC1(C)C2CCC1(CN=[N+]=[N-])\C(C2)=N\O
vial_codeNUJD034820
vial_size1_mL
mw208.2602
alogp-0.0966
hba2
hbd1
rb2
heavyatomcount15
chiralcentercount0
chiralcentercountallpossible2
ringcount2
psa44.95
estate27.5
mr47.237
polar21.718
canvasuid12