Formula | C16H22BClN4O5 |
MW | 396.64 |
InChIKey | RPOXCKSIONRLBJ-GHORINQJSA-N |
hba | 8 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.697266 |
logp | -0.4963 |
mw | 398.656 |
molecular_weight | 398.656 |
qed_score | 0.697266 |
tpsa | 91.22 |
s_m_entry_id | 1245 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | [BH3-][n+]1nc([C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)n2nc(Cl)ccc21 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00321366 |
koda_racka_fkkt | 18 |
koda_viale | NULW765365 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 96 |
pozicija_v_racku_in_rack | 18B10 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 0,5 mL |