Formula | C12H9F3N2O3 |
MW | 286.21 |
InChIKey | LMBBOTKZBFOTAC-UHFFFAOYSA-N |
hba | 5 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.860844 |
logp | 2.3833 |
mw | 286.209 |
molecular_weight | 286.209 |
qed_score | 0.860844 |
tpsa | 64.35 |
s_m_entry_id | 3787 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)nc1O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00325926 |
koda_racka_fkkt | 50 |
koda_viale | nuob207764 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 45 |
pozicija_v_racku_in_rack | 50H9 |
raziskovalec | MANCA JURAJEVČIČ |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |