Formula | C15H17ClN4O |
MW | 304.78 |
InChIKey | FKAGLULEPKFSMU-PPHPATTJSA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.654785 |
logp | -1.2882 |
mw | 304.781 |
molecular_weight | 304.781 |
qed_score | 0.654785 |
tpsa | 67.06 |
s_m_entry_id | 1540 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COc1ccccc1-c1cc2nccc([C@H](C)[NH3+])n2n1.[Cl-] |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00321364 |
koda_racka_fkkt | 23 |
koda_viale | NULW763002 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 27 |
pozicija_v_racku_in_rack | 23A10 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 0,5 mL |