Formula | C14H19ClN4O2 |
MW | 310.78 |
InChIKey | JHGIQEHGYRXYCL-UHFFFAOYSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.644218 |
logp | 1.3558 |
mw | 310.785 |
molecular_weight | 310.785 |
qed_score | 0.644218 |
tpsa | 69.04 |
s_m_entry_id | 144 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cnn(C)c1CCNCc1ccccn1.Cl |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045564 |
koda_racka_fkkt | 2 |
koda_viale | NA0019513042 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 272 |
pozicija_v_racku_in_rack | 2D1 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |