Formula | C21H26N4O5 |
MW | 414.46 |
InChIKey | ZLXMOTVTDPUGCE-GXOQDCAFSA-N |
hba | 5 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.418725 |
logp | 3.4034 |
mw | 414.462 |
molecular_weight | 414.462 |
qed_score | 0.418725 |
tpsa | 106.86 |
s_m_entry_id | 479 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(C)(C)OC(=O)N1C[C@H]2C(=O)[N-]/[N+](=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C12CCCC2 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329469 |
koda_racka_fkkt | 7 |
koda_viale | NUME543711 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 3 |
pozicija_v_racku_in_rack | 7D10 |
raziskovalec | Patricija Hriberšek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |