Formula | C18H12N2S2 |
MW | 320.43 |
InChIKey | KMGWYMXCAXVMNW-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 | 0.490777 |
logp | 5.6006 |
mw | 320.442 |
molecular_weight | 320.442 |
qed_score | 0.490777 |
tpsa | 25.78 |
s_m_entry_id | 117 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok23597 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | c1cnc(-c2c(-c3cccs3)cccc2-c2cccs2)nc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325924 |
koda_racka_fkkt | 3 |
koda_viale | NUMB140814 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 7 |
pozicija_v_racku_in_rack | 3A3 |
raziskovalec | Miha Drev |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |