Formula | C17H12ClN5O4 |
MW | 385.77 |
InChIKey | VEKRAHSDYOUDSS-LLVKDONJSA-N |
hba | 8 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.489548 |
logp | 1.158 |
mw | 385.767 |
molecular_weight | 385.767 |
qed_score | 0.489548 |
tpsa | 106.76 |
s_m_entry_id | 700 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)[C@@H](Cc1nnc2ccc(Cl)nn12)N1C(=O)c2ccccc2C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325919 |
koda_racka_fkkt | 9 |
koda_viale | NUMB139058 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 182 |
pozicija_v_racku_in_rack | 9F8 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |