Formula | C31H31Cl2N3O5 |
MW | 596.51 |
InChIKey | QSVOWTRGBSVDMT-ADUOGZPQSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.139092 |
logp | 6.244 |
mw | 596.511 |
molecular_weight | 596.511 |
qed_score | 0.339092 |
tpsa | 88.18 |
s_m_entry_id | 745 |
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)[C@@H]1C[C@@H](c2c(Cl)cccc2Cl)N2[C@H](c3ccccc3)[C@@H](NC(=O)OCc3ccccc3)C(=O)N12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB138952 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 2 |
pozicija_v_racku_in_rack | 12A8 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |