| Field: | Value: |
|---|
| auto_mol_formula | C26H26FN3O9 |
| auto_mol_fw | 543.51 |
| auto_mol_inchikey | |
| bulk_in | / |
| comment | nan |
| inchikey | NMJNSWNHBKKSHT-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 1,0 |
| mol_name | AI_32 |
| nmr_code | OK21330 |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1A10 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | COC(=O)C1=CN(C(=O)OC(C)(C)C)C(CC2=CC=C(C=C2)[N+]([O-])=O)(C(C[N+]([O-])=O)C2=CC=CC=C2F)C1=O |
| vial_code | NUJD034732 |
| vial_size | 1_mL |
| mw | 543.4977 |
| alogp | 4.527 |
| hba | 5 |
| hbd | 0 |
| rb | 11 |
| heavyatomcount | 39 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 2 |
| ringcount | 3 |
| psa | 159.19 |
| estate | 116.169 |
| mr | 135.5416 |
| polar | 57.23 |
| canvasuid | 10 |