Formula | C28H18N4 |
MW | 410.48 |
InChIKey | JWUNGQJDVQKVDI-UHFFFAOYSA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.33086 |
logp | 6.574 |
mw | 410.48 |
molecular_weight | 410.48 |
qed_score | 0.33086 |
tpsa | 51.56 |
s_m_entry_id | 116 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok23462 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | c1cnc(-c2c(-c3ccc4ccccc4n3)cccc2-c2ccc3ccccc3n2)nc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325924 |
koda_racka_fkkt | 3 |
koda_viale | NUJD034176 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 5 |
pozicija_v_racku_in_rack | 3A2 |
raziskovalec | Miha Drev |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |