Formula | C22H18NO3 |
MW | 344.39 |
InChIKey | OJPKEUIGKPTHQO-XSFVSMFZSA-N |
hba | 3 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.436434 |
logp | 3.66939 |
mw | 344.39 |
molecular_weight | 344.39 |
qed_score | 0.436434 |
tpsa | 55.4 |
s_m_entry_id | 2919 |
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(=C\Cc1c[c-]c2ccccc2c1)NC(=O)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | TS01040351 |
koda_racka_fkkt | 40 |
koda_viale | NA0031284714 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 921 |
pozicija_v_racku_in_rack | 40C11 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |