| Formula | C22H17NO9 |
| MW | 439.38 |
| InChIKey | JLBVPXDXSFLQJZ-NRZQSQBMSA-N |
| hba | 9 |
| hbd | 1 |
| lipinski_violations | 0 |
| pains_match | 0 |
| reactivity | 0 |
| rotatable_bonds | 3 |
| veber_rule | 0 |
| b_m_subgroup_collapsed | 0 |
| drug_score | 0.288625 |
| logp | -0.0803 |
| mw | 439.376 |
| molecular_weight | 439.376 |
| qed_score | 0.388625 |
| tpsa | 142.14 |
| s_m_entry_id | 623 |
| s_m_subgroup_title | test |
| s_m_subgroupid | test |
| nmr_koda | ni NMR podatkov |
| nova_ali_stara_spojina | FKKT-FFA knjiznica |
| smiles | COC(=O)C1=C[C@]2(NC(=O)c3ccccc3)[C@@H]3C(=O)OC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)OC(=O)[C@@H]12 |
| dodaten_komentar | 0 |
| fizicna_ali_virtualna_spojina | fizicen vzorec |
| koda_racka_1_nunc | R000045563 |
| koda_racka_fkkt | 10 |
| koda_viale | NA0019513088 |
| literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
| lokacija | FKKT hladilnik 1 |
| masa_mg | 328 |
| pozicija_v_racku_in_rack | 10ee8 |
| raziskovalec | ? |
| raziskovalna_skupina | ? |
| trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
| velikost_viale | 2 mL |