| Formula | C29H24ClN3O9 |
| MW | 593.98 |
| bulk_in | / |
| comment | nan |
| inchikey | LOEYIUXTCPJVDH-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 69,0 |
| nmr_code | NO_NMR_DATA |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1B6 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | COC(=O)C1=CN(C(=O)OCC2=CC=CC=C2)C(CC2=CC=C(C=C2)[N+]([O-])=O)(C(C[N+]([O-])=O)C2=CC=C(Cl)C=C2)C1=O |
| vial_code | NUJD034219 |
| vial_size | 1_mL |
| mw | 593.9686 |
| alogp | 5.6381 |
| hba | 5 |
| hbd | 0 |
| rb | 12 |
| heavyatomcount | 42 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 2 |
| ringcount | 4 |
| psa | 159.19 |
| estate | 118.197 |
| mr | 150.9388 |
| polar | 66.71 |
| canvasuid | 18 |