Formula | C20H18ClF3O5S |
MW | 462.87 |
InChIKey | ZHWYKTIHVNJGCX-PUWVMBCZSA-N |
hba | 5 |
hbd | 0 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 7 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.560799 |
logp | 5.2678 |
mw | 462.873 |
molecular_weight | 462.873 |
qed_score | 0.560799 |
tpsa | 61.83 |
s_m_entry_id | 3674 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COc1cc(/C(Cl)=C\S(=O)(=O)/C(=C/C(F)(F)F)c2ccccc2)cc(OC)c1OC |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00329466 |
koda_racka_fkkt | 48 |
koda_viale | numb143194 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 23 |
pozicija_v_racku_in_rack | 48G4 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Tekoča spojina |
velikost_viale | 1 mL |