Formula | C21H19NO |
MW | 301.39 |
InChIKey | GXHGEKVPCVBGDQ-SFHVURJKSA-N |
hba | 1 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.836624 |
logp | 4.0691 |
mw | 301.389 |
molecular_weight | 301.389 |
qed_score | 0.836624 |
tpsa | 20.31 |
s_m_entry_id | 79 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C1C2=C(CCN1Cc1ccccc1)[C@H](c1ccccc1)C=C2 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUMB140717 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 126 |
pozicija_v_racku_in_rack | 1G7 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |