Formula | C17H21N3O |
MW | 283.37 |
InChIKey | CJASVXQQXMYEIY-UHFFFAOYSA-N |
hba | 3 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.84973 |
logp | 2.8366 |
mw | 283.375 |
molecular_weight | 283.375 |
qed_score | 0.84973 |
tpsa | 38.13 |
s_m_entry_id | 75 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(C)(C)n1ncc2c1CCN(Cc1ccccc1)C2=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUMB140984 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 122 |
pozicija_v_racku_in_rack | 1G3 |
raziskovalec | ? |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |