Formula | C9H9NO2 |
MW | 163.18 |
InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
hba | 2 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.495651 |
logp | 2.3241 |
mw | 163.176 |
molecular_weight | 163.176 |
qed_score | 0.495651 |
tpsa | 43.14 |
s_m_entry_id | 3416 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C/C(=C\c1ccccc1)[N+](=O)[O-] |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | TS01040114 |
koda_racka_fkkt | 45 |
koda_viale | NA0019512996 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 603 |
pozicija_v_racku_in_rack | 45D6 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |