Formula | C21H16ClF3O6S |
MW | 488.87 |
InChIKey | CRSATTRYUSGRRJ-VQVMMYKWSA-N |
hba | 6 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.542013 |
logp | 4.8152 |
mw | 488.867 |
molecular_weight | 488.867 |
qed_score | 0.542013 |
tpsa | 86.74 |
s_m_entry_id | 3687 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1ccc(/C(Cl)=C\S(=O)(=O)/C(=C/C(F)(F)F)c2ccc(C(=O)OC)cc2)cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00329466 |
koda_racka_fkkt | 48 |
koda_viale | numb143060 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 35 |
pozicija_v_racku_in_rack | 48H6 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |