| Field: | Value: |
|---|
| auto_mol_formula | C27H31F6N3O2 |
| auto_mol_fw | 543.56 |
| auto_mol_inchikey | |
| bulk_in | / |
| comment | nan |
| inchikey | CUZOFHLUPDTZHG-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 280,0 |
| mol_name | AI_67 |
| nmr_code | NO_NMR_DATA |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1A6 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | [H]C1(CC2CCC1(CNC1=C(NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C1=O)C2(C)C)N1CCCC1 |
| vial_code | NUJD034565 |
| vial_size | 1_mL |
| mw | 543.5444 |
| alogp | 6.1072 |
| hba | 2 |
| hbd | 2 |
| rb | 9 |
| heavyatomcount | 38 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 3 |
| ringcount | 5 |
| psa | 61.44 |
| estate | 111.835 |
| mr | 134.4921 |
| polar | 54.8 |
| canvasuid | 6 |