Formula | C14H9F6NO3 |
MW | 353.23 |
InChIKey | RLHQJHDRAOFAOG-UHFFFAOYSA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.675669 |
logp | 3.4625 |
mw | 353.218 |
molecular_weight | 353.218 |
qed_score | 0.675669 |
tpsa | 55.4 |
s_m_entry_id | 13 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok23091 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCOc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizična spojina |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUJD034459 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 74 |
pozicija_v_racku_in_rack | 1B1 |
raziskovalec | A. Ivančič |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |