Formula | C34H36N2O9 |
MW | 616.67 |
InChIKey | XDSQMTKDWRZABX-SJHOIFEDSA-N |
hba | 9 |
hbd | 0 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 11 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0 |
logp | 5.4927 |
mw | 616.667 |
molecular_weight | 616.667 |
qed_score | 0.118569 |
tpsa | 134.51 |
s_m_entry_id | 8 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok21545 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@](Cc2ccc(OC)cc2)([C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizična spojina |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUJD034325 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 45 |
pozicija_v_racku_in_rack | 1A8 |
raziskovalec | A. Ivančič |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |