| Formula | C27H29BrN2O8 |
| MW | 589.44 |
| InChIKey | MJANPWWCKBWZIL-AMGIVPHBSA-N |
| hba | 8 |
| hbd | 0 |
| lipinski_violations | 1 |
| pains_match | 0 |
| reactivity | 0 |
| rotatable_bonds | 8 |
| veber_rule | 1 |
| b_m_subgroup_collapsed | 0 |
| drug_score | 0.188266 |
| logp | 4.6762 |
| mw | 589.439 |
| molecular_weight | 589.439 |
| qed_score | 0.188266 |
| tpsa | 125.28 |
| s_m_entry_id | 5 |
| s_m_subgroup_title | test |
| s_m_subgroupid | test |
| nmr_koda | ok21507 |
| nova_ali_stara_spojina | FKKT-FFA knjiznica |
| smiles | COC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@](Cc2ccc(OC)cc2)([C@H](C[N+](=O)[O-])c2ccc(Br)cc2)C1=O |
| dodaten_komentar | 0 |
| fizicna_ali_virtualna_spojina | fizična spojina |
| koda_racka_1_nunc | NU00246861 |
| koda_racka_fkkt | 1 |
| koda_viale | NUJD034723 |
| literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
| lokacija | FKKT hladilnik 1 |
| masa_mg | 88 |
| pozicija_v_racku_in_rack | 1A5 |
| raziskovalec | A. Ivančič |
| raziskovalna_skupina | Svete |
| trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
| velikost_viale | 1 mL |