Formula | C12H11F3N4O3 |
MW | 316.24 |
InChIKey | MZMVCTQMDKHCQT-ZETCQYMHSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.829938 |
logp | 0.4919 |
mw | 316.239 |
molecular_weight | 316.239 |
qed_score | 0.829938 |
tpsa | 85.59 |
s_m_entry_id | 3465 |
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](Cc1nnc2ccccn12)NC(=O)C(F)(F)F |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329463 |
koda_racka_fkkt | 47 |
koda_viale | NUME538056 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 40 |
pozicija_v_racku_in_rack | 47EE9 |
raziskovalec | Petra Cebasek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |