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) 0.97 5.29 -8.12 0 4 0 53 174.196 7

Vendor Notes

Note Type Comments Provided By
BP [°C] 109 - 110 (p=14 torr) Acros Organics
Boiling_Point 109-110?/14mm Alfa-Aesar
Boiling_Point 109-110°/14mm Alfa-Aesar
Mp [°C] 8 Acros Organics
M.P 8 °C Indofine
Melting_Point 8? Alfa-Aesar
Melting_Point Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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