FKKTLib v2021: details for selected entry

AI_58 (9)
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FormulaC14H26N2
MW222.37
bulk_in/
commentnan
inchikeySFMRSFQOKWFVLT-UHFFFAOYSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass58,0
nmr_codeOK21548
rack_codeNU00246861
rack_number1
rack_position1A9
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smiles[H]C1(CC2CCC1(CN)C2(C)C)N1CCCC1
vial_codeNUJD034699
vial_size1_mL
mw222.3696
alogp1.7341
hba0
hbd0
rb2
heavyatomcount16
chiralcentercount0
chiralcentercountallpossible3
ringcount3
psa29.26
estate27.166
mr68.0131
polar26.844
canvasuid9