Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.36 -3.67 -8.88 2 4 0 59 150.174 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 7 Acros Organics
Melting_Point 7? Alfa-Aesar
Melting_Point Alfa-Aesar
BP 276 TCI
Boiling_Point 284-288? Alfa-Aesar
Boiling_Point 284-288° Alfa-Aesar
BP [°C] 285 Acros Organics
ALOGPS_SOLUBILITY 3.36e+02 g/l DrugBank-experimental
Purity 95% Fluorochem
Patent Database Links EP1225172; EP1310496; EP1533307; EP1604647; EP1674086; EP1839677; EP1842559; EP1852415; EP1925619; EP1952825; EP1977768; GB2062468; GB2131691; US2002103091; US2004009904; US2005019831; US2005165073; US2006058281; US2006128683; US2007185234; US2007196308 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
UniProt Database Links TEG_BACME ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )