Formula | C19H21BrN6S |
MW | 445.38 |
InChIKey | JOBLCKKUEVJAEQ-UHFFFAOYSA-N |
hba | 5 |
hbd | 3 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.411639 |
logp | 4.2825 |
mw | 445.39 |
molecular_weight | 445.39 |
qed_score | 0.411639 |
tpsa | 66.28 |
s_m_entry_id | 3308 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | S=C(NNc1ccc2nc(-c3ccccc3)c(Br)n2n1)NC1CCCCC1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329462 |
koda_racka_fkkt | 46 |
koda_viale | NUME537543 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 51 |
pozicija_v_racku_in_rack | 46A5 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |