| Formula | C29H25ClN2O7 |
| MW | 548.98 |
| bulk_in | / |
| comment | nan |
| inchikey | DXESYZZFTKFTPC-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 31,0 |
| nmr_code | OK21484 |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1B5 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | COC(=O)C1=CN(C(=O)OCC2=CC=CC=C2)C(CC2=CC=CC=C2)(C(C[N+]([O-])=O)C2=CC(Cl)=CC=C2)C1=O |
| vial_code | NUJD034802 |
| vial_size | 1_mL |
| mw | 548.971 |
| alogp | 5.7437 |
| hba | 5 |
| hbd | 0 |
| rb | 11 |
| heavyatomcount | 39 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 2 |
| ringcount | 4 |
| psa | 116.05 |
| estate | 102.53 |
| mr | 143.6141 |
| polar | 65.164 |
| canvasuid | 17 |