Formula | C21H21Cl2N3O3 |
MW | 434.32 |
InChIKey | SWUBTTRSRULQGR-ISZFSOKKSA-N |
hba | 3 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.701023 |
logp | 4.5733 |
mw | 434.323 |
molecular_weight | 434.323 |
qed_score | 0.701023 |
tpsa | 72.51 |
s_m_entry_id | 843 |
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@@H]1[C@@H](NC(=O)OCc2ccccc2)C(=O)[N-]/[N+]1=C\c1c(Cl)cccc1Cl |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019513617 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 874 |
pozicija_v_racku_in_rack | 13B6 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Poltrdna spojina |
velikost_viale | 2 mL |