Formula | C22H28N2O3 |
MW | 368.47 |
InChIKey | LLRMOAPDQKRAIK-LDADJPATSA-N |
hba | 5 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 8 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.509323 |
logp | 4.4716 |
mw | 368.477 |
molecular_weight | 368.477 |
qed_score | 0.509323 |
tpsa | 61.19 |
s_m_entry_id | 3954 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cnn(C(C)(C)CC=O)c1/C(=C/CC(C)C)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00380159 |
koda_racka_fkkt | 52 |
koda_viale | nuob207126 |
literaturno_znana_neznana_ali_komercialna_spojina | n |
lokacija | FKKT hladilnik 1 |
masa_mg | 34 |
pozicija_v_racku_in_rack | 52F10 |
raziskovalec | Ines Kulašić |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Tekoča spojina |
velikost_viale | 1 mL |