Formula | C18H22N2O |
MW | 282.38 |
InChIKey | LBASQPBJBRLJFL-CRAIPNDOSA-N |
hba | 3 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.782117 |
logp | 4.23542 |
mw | 282.387 |
molecular_weight | 282.387 |
qed_score | 0.782117 |
tpsa | 27.05 |
s_m_entry_id | 280 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | Cc1ccc(-n2ncc3c2O[C@]2(C)CC[C@H]3C2(C)C)cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUMB141868 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 34 |
pozicija_v_racku_in_rack | 4D4 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |