Formula | C15H13NO5 |
MW | 287.27 |
InChIKey | LAQUSGABDKJNSQ-UHFFFAOYSA-N |
hba | 5 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.872385 |
logp | 1.98712 |
mw | 287.271 |
molecular_weight | 287.271 |
qed_score | 0.872385 |
tpsa | 85.61 |
s_m_entry_id | 316 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045558 |
koda_racka_fkkt | 5 |
koda_viale | NA0019513113 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 640 |
pozicija_v_racku_in_rack | 5D9 |
raziskovalec | Krištof Kranjc |
raziskovalna_skupina | prof. dr. Janez Košmrlj |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |