Formula | C11H13N3O |
MW | 203.24 |
InChIKey | CMCOIQDYQKMKIC-UHFFFAOYSA-N |
hba | 4 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.734717 |
logp | 1.1246 |
mw | 203.245 |
molecular_weight | 203.245 |
qed_score | 0.734717 |
tpsa | 64.07 |
s_m_entry_id | 77 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | Nc1ccccc1-c1ccnn1CCO |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUMB140498 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 7 |
pozicija_v_racku_in_rack | 1G5 |
raziskovalec | ? |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |