Formula | C28H18N2OS |
MW | 430.52 |
InChIKey | QAOIWBAYWQHDKF-UHFFFAOYSA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.279673 |
logp | 7.37158 |
mw | 430.532 |
molecular_weight | 430.532 |
qed_score | 0.279673 |
tpsa | 53.75 |
s_m_entry_id | 990 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | OK30038 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(=O)c1ccc(-c2cc(-c3ccc(C#N)cc3)sc2-c2ccc3ccccc3n2)cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325920 |
koda_racka_fkkt | 15 |
koda_viale | NUMB137476 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 40 |
pozicija_v_racku_in_rack | 15B6 |
raziskovalec | Urša R. |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Poltrdna spojina |
velikost_viale | 1 mL |