Formula | C12H13N3OS |
MW | 247.31 |
InChIKey | CZHFZTNMDDBJRB-NTMALXAHSA-N |
hba | 3 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.631194 |
logp | 1.3107 |
mw | 247.323 |
molecular_weight | 247.323 |
qed_score | 0.631194 |
tpsa | 35.58 |
s_m_entry_id | 2917 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CN(C)/C=C1\NC(=S)N(c2ccccc2)C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329470 |
koda_racka_fkkt | 39 |
koda_viale | NUME545223 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 130 |
pozicija_v_racku_in_rack | 39H4 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |