Formula | C22H24ClN7O8 |
MW | 549.93 |
InChIKey | PNULIRIQAGQCJR-NELJVSICSA-N |
hba | 15 |
hbd | 0 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 8 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0 |
logp | 0.8294 |
mw | 549.928 |
molecular_weight | 549.928 |
qed_score | 0.257598 |
tpsa | 167.65 |
s_m_entry_id | 3011 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCOC(=O)/C=C1\c2c(c(Cl)nn3nnnc23)N2C(C(=O)OCC)=C(C(=O)OCC)[C@](C)(C(=O)OCC)N12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329464 |
koda_racka_fkkt | 41 |
koda_viale | NUME539523 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 59 |
pozicija_v_racku_in_rack | 41EE12 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |