Formula | C14H12N2O5 |
MW | 288.26 |
InChIKey | AHEZMJQNSBYEEL-XFFZJAGNSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.297763 |
logp | 1.555 |
mw | 288.259 |
molecular_weight | 288.259 |
qed_score | 0.297763 |
tpsa | 98.54 |
s_m_entry_id | 536 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)C1=C(C)N/C(=C\c2cccc([N+](=O)[O-])c2)C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329469 |
koda_racka_fkkt | 7 |
koda_viale | NUMB141822 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 23 |
pozicija_v_racku_in_rack | 7F5 |
raziskovalec | Sebastijan Ričko |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |