Formula | C19H17N5O8 |
MW | 443.37 |
InChIKey | HJEYXWVHPFGMLU-IXJPEXDMSA-N |
hba | 8 |
hbd | 5 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 10 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.0977519 |
logp | 0.7172 |
mw | 443.372 |
molecular_weight | 443.372 |
qed_score | 0.197752 |
tpsa | 200.86 |
s_m_entry_id | 3773 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(O)C[C@H](NC(=O)/C(=C/Nc1ncccc1[N+](=O)[O-])NC(=O)c1ccccc1)C(=O)O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00325926 |
koda_racka_fkkt | 50 |
koda_viale | numb142919 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 20 |
pozicija_v_racku_in_rack | 50G7 |
raziskovalec | Jurij Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |