| Formula | C17H15NO8 |
| MW | 361.31 |
| InChIKey | YTIXPWGOPDXVSL-ICFBBKCDSA-N |
| hba | 8 |
| hbd | 1 |
| lipinski_violations | 0 |
| pains_match | 0 |
| reactivity | 0 |
| rotatable_bonds | 2 |
| veber_rule | 1 |
| b_m_subgroup_collapsed | 0 |
| drug_score | 0.491174 |
| logp | -0.9582 |
| mw | 361.306 |
| molecular_weight | 361.306 |
| qed_score | 0.491174 |
| tpsa | 132.91 |
| s_m_entry_id | 618 |
| s_m_subgroup_title | test |
| s_m_subgroupid | test |
| nmr_koda | ni NMR podatkov |
| nova_ali_stara_spojina | FKKT-FFA knjiznica |
| smiles | CC(=O)N[C@]12C=C(C(C)=O)[C@](C)([C@@H]3C(=O)OC(=O)[C@@H]31)[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 | NA0019513089 |
| literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
| lokacija | FKKT hladilnik 1 |
| masa_mg | 123 |
| pozicija_v_racku_in_rack | 10D9 |
| raziskovalec | ? |
| raziskovalna_skupina | ? |
| trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
| velikost_viale | 2 mL |