Formula | C25H20N4O2 |
MW | 408.46 |
InChIKey | PHYYJGIIMLEIFI-VIXBWKJWSA-N |
hba | 2 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.501354 |
logp | 3.9681 |
mw | 408.461 |
molecular_weight | 408.461 |
qed_score | 0.501354 |
tpsa | 79.07 |
s_m_entry_id | 690 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(N[C@@H]1C(=O)[N-]/[N+](=C\c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325919 |
koda_racka_fkkt | 9 |
koda_viale | NUMB138688 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 159 |
pozicija_v_racku_in_rack | 9F5 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |