Formula | C13H12F3N3O3 |
MW | 315.26 |
InChIKey | XVSLMRFFMABHQK-JTQLQIEISA-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 | 0.87208 |
logp | 1.53532 |
mw | 315.251 |
molecular_weight | 315.251 |
qed_score | 0.87208 |
tpsa | 72.7 |
s_m_entry_id | 1338 |
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](NC(=O)C(F)(F)F)c1cn2ccc(C)cc2n1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | TS01040343 |
koda_racka_fkkt | 20 |
koda_viale | NA0031284424 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 473 |
pozicija_v_racku_in_rack | 20B12 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |