UCSF

ZINC01850497

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) 5.85 8.54 -3.24 1 1 0 20 220.356 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 127-130?/27mm Alfa-Aesar
Boiling_Point 127-130°/27mm Alfa-Aesar
BP [°C] 293 - 297 Acros Organics
Melting_Point 43-46? Alfa-Aesar
Melting_Point 43-46° Alfa-Aesar
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Therapy weevil pheromone, shows estrogenic activity SMDC Iconix

Activity (Go SEA)

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