Formula | C12H12N2O2S |
MW | 248.3 |
InChIKey | UIHCDOHZWQOTHQ-JTQLQIEISA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.807208 |
logp | -0.287 |
mw | 248.307 |
molecular_weight | 248.307 |
qed_score | 0.807208 |
tpsa | 80.66 |
s_m_entry_id | 1059 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | [NH3+][C@@H](Cc1csc(-c2ccccc2)n1)C(=O)[O-] |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325920 |
koda_racka_fkkt | 15 |
koda_viale | NUMB136918 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 145 |
pozicija_v_racku_in_rack | 15C8 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |