Formula | C15H17N3O3 |
MW | 287.32 |
InChIKey | UBEASIGFOJNHSU-BTDICHCPSA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.907625 |
logp | 1.2721 |
mw | 287.319 |
molecular_weight | 287.319 |
qed_score | 0.907625 |
tpsa | 79.78 |
s_m_entry_id | 3968 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC1(C)CC(=O)N2C=C(C(N)=O)[C@@H](/C=C/c3ccco3)N21 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00380159 |
koda_racka_fkkt | 52 |
koda_viale | nuob206163 |
literaturno_znana_neznana_ali_komercialna_spojina | n |
lokacija | FKKT hladilnik 1 |
masa_mg | 7 |
pozicija_v_racku_in_rack | 52G12 |
raziskovalec | Ines Kulašić |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |