Formula | C12H5ClN6O2 |
MW | 300.66 |
InChIKey | CFMPKZVVPHEWGW-UHFFFAOYSA-N |
hba | 7 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.303868 |
logp | 2.3873 |
mw | 300.665 |
molecular_weight | 300.665 |
qed_score | 0.303868 |
tpsa | 99.11 |
s_m_entry_id | 3499 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=[N+]([O-])c1cc2c(c(Cl)nn3nnnc23)c2ccccc12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329463 |
koda_racka_fkkt | 47 |
koda_viale | NUME538296 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 235 |
pozicija_v_racku_in_rack | 47H7 |
raziskovalec | Petra Cebasek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |