Formula | C24H19Cl2N3O3 |
MW | 468.34 |
InChIKey | YKZPMBHUROOBRN-MYPDDRRYSA-N |
hba | 3 |
hbd | 1 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.517583 |
logp | 5.29 |
mw | 468.34 |
molecular_weight | 468.34 |
qed_score | 0.517583 |
tpsa | 72.51 |
s_m_entry_id | 774 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(N[C@H]1C(=O)[N-]/[N+](=C\c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1)OCc1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045559 |
koda_racka_fkkt | 11 |
koda_viale | NA0019513612 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 217 |
pozicija_v_racku_in_rack | 11G5 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |