Formula | C23H30F3N3O3 |
MW | 453.51 |
InChIKey | SUYKNSRFJBPWNZ-GMUIIQOCSA-N |
hba | 3 |
hbd | 3 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.583344 |
logp | 2.2623 |
mw | 453.505 |
molecular_weight | 453.505 |
qed_score | 0.583344 |
tpsa | 112.66 |
s_m_entry_id | 188 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC1=C(CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCC1(C)C.O=C([O-])C(F)(F)F |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325924 |
koda_racka_fkkt | 3 |
koda_viale | NUJD034282 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 3 |
pozicija_v_racku_in_rack | 3ee11 |
raziskovalec | Anže Meden |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Tekoča spojina |
velikost_viale | 1 mL |