Formula | C16H13N3O3 |
MW | 295.3 |
InChIKey | RIJDGDJRYHSIJB-UHFFFAOYSA-N |
hba | 5 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.545679 |
logp | 3.4561 |
mw | 295.298 |
molecular_weight | 295.298 |
qed_score | 0.545679 |
tpsa | 70.19 |
s_m_entry_id | 85 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COc1cccc(-n2nccc2-c2ccccc2[N+](=O)[O-])c1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045564 |
koda_racka_fkkt | 2 |
koda_viale | NA0019513050 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 603 |
pozicija_v_racku_in_rack | 2A10 |
raziskovalec | ? |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |