Formula | C18H18N2O2 |
MW | 294.35 |
InChIKey | NVROSKMERTXYDT-BETBHVOZSA-N |
hba | 2 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.805938 |
logp | 3.9011 |
mw | 294.354 |
molecular_weight | 294.354 |
qed_score | 0.805938 |
tpsa | 47.32 |
s_m_entry_id | 3959 |
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\c1ccco1)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00380159 |
koda_racka_fkkt | 52 |
koda_viale | nuob206330 |
literaturno_znana_neznana_ali_komercialna_spojina | n |
lokacija | FKKT hladilnik 1 |
masa_mg | 76 |
pozicija_v_racku_in_rack | 52G3 |
raziskovalec | Ines Kulašić |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |