Formula | C21H16Cl2N4O2 |
MW | 427.29 |
InChIKey | RFCNDKZBWBNVPY-UHFFFAOYSA-N |
hba | 5 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.527288 |
logp | 3.7811 |
mw | 427.291 |
molecular_weight | 427.291 |
qed_score | 0.527288 |
tpsa | 68.4 |
s_m_entry_id | 445 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(NCc1cc(Cl)cc(Cl)c1)c1cn(Cc2ccccc2)n2c(=O)ccnc12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329469 |
koda_racka_fkkt | 7 |
koda_viale | NUME544428 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 48 |
pozicija_v_racku_in_rack | 7A12 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |