Formula | C21H17N3O |
MW | 327.38 |
InChIKey | SNCBLBXIZVDGJY-PMACEKPBSA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.641946 |
logp | 4.8666 |
mw | 327.387 |
molecular_weight | 327.387 |
qed_score | 0.641946 |
tpsa | 45.03 |
s_m_entry_id | 3337 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(c1ccccc1)[C@H]1N=NN(c2ccccc2)[C@H]1c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329462 |
koda_racka_fkkt | 46 |
koda_viale | NUME537093 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 26 |
pozicija_v_racku_in_rack | 46C10 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |