Formula | C9H14ClF3O2S |
MW | 278.72 |
InChIKey | ATTZHEJPGSFOAB-BQYQJAHWSA-N |
hba | 2 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.544063 |
logp | 3.9716 |
mw | 278.723 |
molecular_weight | 278.723 |
qed_score | 0.544063 |
tpsa | 34.14 |
s_m_entry_id | 3696 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCCCCC/C(=C\C(F)(F)F)S(=O)(=O)Cl |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | virtualni vzorec |
koda_racka_1_nunc | / |
koda_racka_fkkt | 0 |
koda_viale | / |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 0 |
pozicija_v_racku_in_rack | / |
raziskovalec | Nejc Petek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | / |
velikost_viale | 1 mL |