Formula | C24H17ClO5 |
MW | 420.85 |
InChIKey | KBLVBCAGWYAKOZ-UHFFFAOYSA-N |
hba | 5 |
hbd | 1 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.331213 |
logp | 5.8696 |
mw | 420.848 |
molecular_weight | 420.848 |
qed_score | 0.331213 |
tpsa | 72.83 |
s_m_entry_id | 625 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(=O)Oc1c(Cl)c(-c2c(O)ccc3ccccc23)c(OC(C)=O)c2ccccc12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045563 |
koda_racka_fkkt | 10 |
koda_viale | NA0019513666 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 226 |
pozicija_v_racku_in_rack | 10H9 |
raziskovalec | ? |
raziskovalna_skupina | ? |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |