Formula | C14H16ClNO3 |
MW | 281.74 |
InChIKey | XMGUPSUZQWOYBI-QBFSEMIESA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.28339 |
logp | 1.6835 |
mw | 281.739 |
molecular_weight | 281.739 |
qed_score | 0.28339 |
tpsa | 55.4 |
s_m_entry_id | 385 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | kt58103 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CN/C(Cc1ccccc1)=C(/C(=O)CCl)C(=O)OC |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUME543988 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 520 |
pozicija_v_racku_in_rack | 4G2 |
raziskovalec | Luka Ciber |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | olje ali tekoca spojina |
velikost_viale | 1 mL |