Formula | C14H10Br2F3N3O4 |
MW | 501.06 |
InChIKey | DQAUPBGZNQQJPB-MRVPVSSYSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.503275 |
logp | 2.6522 |
mw | 501.053 |
molecular_weight | 501.053 |
qed_score | 0.503275 |
tpsa | 89.77 |
s_m_entry_id | 1066 |
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)c1cnc2c(Br)cc(Br)cn12)NC(=O)C(F)(F)F |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00321361 |
koda_racka_fkkt | 16 |
koda_viale | NULW760157 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 44 |
pozicija_v_racku_in_rack | 16EE6 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 0,5 mL |