Formula | C12H10ClN7 |
MW | 287.71 |
InChIKey | YBDMDVPVQQTOLG-LBPRGKRZSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.703494 |
logp | 1.3663 |
mw | 287.714 |
molecular_weight | 287.714 |
qed_score | 0.703494 |
tpsa | 80.03 |
s_m_entry_id | 2974 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C[C@@]1(c2ccccc2)NNc2c(Cl)nn3nnnc3c21 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | TS01040351 |
koda_racka_fkkt | 40 |
koda_viale | NA0031284730 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 611 |
pozicija_v_racku_in_rack | 40F8 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |