Formula | C16H18N2O3 |
MW | 286.33 |
InChIKey | RWKQWHJTLVJMAE-ZDUSSCGKSA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.838246 |
logp | 2.5913 |
mw | 286.331 |
molecular_weight | 286.331 |
qed_score | 0.838246 |
tpsa | 53.76 |
s_m_entry_id | 3977 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(=O)C1=CN2C(=O)CC(C)(C)N2[C@H](c2ccco2)C=C1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00380159 |
koda_racka_fkkt | 52 |
koda_viale | nuob207117 |
literaturno_znana_neznana_ali_komercialna_spojina | n |
lokacija | FKKT hladilnik 1 |
masa_mg | 5 |
pozicija_v_racku_in_rack | 52H9 |
raziskovalec | Ines Kulašić |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |