Formula | C7H6F3NO4 |
MW | 225.13 |
InChIKey | MLCDEEZAJGXKJV-VKHMYHEASA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.499133 |
logp | -0.1029 |
mw | 225.122 |
molecular_weight | 225.122 |
qed_score | 0.499133 |
tpsa | 72.47 |
s_m_entry_id | 426 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C1CC[C@H](NC(=O)C(F)(F)F)C(=O)O1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045566 |
koda_racka_fkkt | 6 |
koda_viale | NA0019513701 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 404 |
pozicija_v_racku_in_rack | 6G12 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |