Formula | C15H13ClN6 |
MW | 312.76 |
InChIKey | UKGPIVLQMHGNDP-QPJQQBGISA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.648741 |
logp | 3.0782 |
mw | 312.764 |
molecular_weight | 312.764 |
qed_score | 0.648741 |
tpsa | 60.19 |
s_m_entry_id | 3318 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC1(C)c2c(c(Cl)cn3cnnc23)[N-]/[N+]1=C/c1cccnc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329462 |
koda_racka_fkkt | 46 |
koda_viale | NUME537145 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 126 |
pozicija_v_racku_in_rack | 46B3 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |