Formula | C17H12ClF3O2S |
MW | 372.79 |
InChIKey | PVYCXGMUEBEHSD-JNCCTMNUSA-N |
hba | 2 |
hbd | 0 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.726608 |
logp | 5.3289 |
mw | 372.795 |
molecular_weight | 372.795 |
qed_score | 0.726608 |
tpsa | 34.14 |
s_m_entry_id | 3682 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=S(=O)(/C=C\c1ccc(Cl)cc1)/C(=C/C(F)(F)F)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00329466 |
koda_racka_fkkt | 48 |
koda_viale | nume541087 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 13 |
pozicija_v_racku_in_rack | 48G12 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |