FKKTLib v2021: details for selected entry

AI_23 (19)
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FormulaC27H30N2O7
MW494.54
bulk_in/
commentnan
inchikeyHWKXGGYEFPBAKR-ZBLYBZFDSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass21,0
nmr_codeNO_NMR_DATA
rack_codeNU00246861
rack_number1
rack_position1B7
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesC3=C(C(OC)=O)C(=O)[C@](CC1=CC=CC=C1)(C[C@@H](C2=CC=CC=C2)CN(=O)=O)N3C(=O)OC(C)(C)C
vial_codeNUJD034237
vial_size1_mL
mw494.5363
alogp4.8777
hba5
hbd0
rb11
heavyatomcount36
chiralcentercount2
chiralcentercountallpossible2
ringcount3
psa116.05
estate94.335
mr132.6997
polar57.61
canvasuid19