Formula | C7H7BrF3NO4 |
MW | 306.04 |
InChIKey | DWQQRWJMSCSAJF-VKHMYHEASA-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 | 0.606911 |
logp | 0.5181 |
mw | 306.034 |
molecular_weight | 306.034 |
qed_score | 0.606911 |
tpsa | 72.47 |
s_m_entry_id | 1056 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)[C@H](CC(=O)Br)NC(=O)C(F)(F)F |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019512832 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 30 |
pozicija_v_racku_in_rack | 13G9 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |