| Formula | C8H9NO4 |
| MW | 183.16 |
| InChIKey | MQYMFMHHYQPGJL-UHFFFAOYSA-N |
| hba | 4 |
| hbd | 1 |
| lipinski_violations | 0 |
| pains_match | 0 |
| reactivity | 0 |
| rotatable_bonds | 2 |
| veber_rule | 1 |
| b_m_subgroup_collapsed | 0 |
| drug_score | 0.705159 |
| logp | 0.0921 |
| mw | 183.163 |
| molecular_weight | 183.163 |
| qed_score | 0.705159 |
| tpsa | 68.53 |
| s_m_entry_id | 1269 |
| s_m_subgroup_title | test |
| s_m_subgroupid | test |
| nmr_koda | ni NMR podatkov |
| nova_ali_stara_spojina | FKKT-FFA knjiznica |
| smiles | COc1cc(=O)n(C)cc1C(=O)O |
| dodaten_komentar | 0 |
| fizicna_ali_virtualna_spojina | fizicen vzorec |
| koda_racka_1_nunc | R000045561 |
| koda_racka_fkkt | 19 |
| koda_viale | NA0019513685 |
| literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
| lokacija | FKKT hladilnik 1 |
| masa_mg | 348 |
| pozicija_v_racku_in_rack | 19D6 |
| raziskovalec | J. Svete |
| raziskovalna_skupina | prof. dr. Jurij Svete |
| trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
| velikost_viale | 2 mL |