Formula | C19H15IN2O |
MW | 414.24 |
InChIKey | NWKXEQZYOQGEOE-UHFFFAOYSA-M |
hba | 2 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.260694 |
logp | 0.152 |
mw | 414.246 |
molecular_weight | 414.246 |
qed_score | 0.260694 |
tpsa | 25.36 |
s_m_entry_id | 1145 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C[n+]1cc(C(=O)c2ccccc2)n2ccc3ccccc3c21.[I-] |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325920 |
koda_racka_fkkt | 15 |
koda_viale | NUMB137023 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 521 |
pozicija_v_racku_in_rack | 15EE8 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |