Formula | C9H7ClN2O |
MW | 194.62 |
InChIKey | XCQSVRBVGXHPBL-SSDOTTSWSA-N |
hba | 3 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 0 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.681697 |
logp | 1.5659 |
mw | 194.621 |
molecular_weight | 194.621 |
qed_score | 0.681697 |
tpsa | 55.45 |
s_m_entry_id | 3021 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | N[C@@H]1C=Nc2ccc(Cl)cc2C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329464 |
koda_racka_fkkt | 41 |
koda_viale | NUME539727 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 40 |
pozicija_v_racku_in_rack | 41F7 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |