Formula | C11H11ClF3N5O3 |
MW | 353.69 |
InChIKey | MPKFBXKQIHEVAW-DIRLJCSBSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.451119 |
logp | 1.1379 |
mw | 353.688 |
molecular_weight | 353.688 |
qed_score | 0.451119 |
tpsa | 105.57 |
s_m_entry_id | 1057 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)[C@@H](C/C=N/Nc1ccc(Cl)nn1)NC(=O)C(F)(F)F |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019512836 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 517 |
pozicija_v_racku_in_rack | 13G11 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |