Formula | C17H19N3O4 |
MW | 329.35 |
InChIKey | GWMNQPHPYLENON-UHFFFAOYSA-N |
hba | 6 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.484114 |
logp | 3.7501 |
mw | 329.356 |
molecular_weight | 329.356 |
qed_score | 0.484114 |
tpsa | 87.26 |
s_m_entry_id | 3843 |
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(C2CCCCC2)c1-c1ccccc1[N+](=O)[O-] |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00380160 |
koda_racka_fkkt | 51 |
koda_viale | nuob207481 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 57 |
pozicija_v_racku_in_rack | 51000000.0 |
raziskovalec | Jurij Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |