Formula | C14H15N3O3 |
MW | 273.29 |
InChIKey | DVMYRDATFYWRLH-CATNJWAPSA-N |
hba | 3 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.482295 |
logp | 2.6889 |
mw | 273.292 |
molecular_weight | 273.292 |
qed_score | 0.482295 |
tpsa | 77.32 |
s_m_entry_id | 3952 |
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)[N-]/[N+]1=C\C=C\c1ccc([N+](=O)[O-])cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00380159 |
koda_racka_fkkt | 52 |
koda_viale | nuob206543 |
literaturno_znana_neznana_ali_komercialna_spojina | n |
lokacija | FKKT hladilnik 1 |
masa_mg | 3 |
pozicija_v_racku_in_rack | 52F8 |
raziskovalec | Ines Kulašić |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |