Formula | C18H21NO5 |
MW | 331.37 |
InChIKey | RQKLSSQXBDEOOZ-UHFFFAOYSA-N |
hba | 6 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.801722 |
logp | 3.7335 |
mw | 331.368 |
molecular_weight | 331.368 |
qed_score | 0.801722 |
tpsa | 66.76 |
s_m_entry_id | 498 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cn(C(=O)OC(C)(C)C)c(-c2ccccc2)c1OC |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045560 |
koda_racka_fkkt | 8 |
koda_viale | NA0019513602 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 37 |
pozicija_v_racku_in_rack | 8F7 |
raziskovalec | Patricija Hriberšek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | poltrdna spojina |
velikost_viale | 2 mL |