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) 4.05 8.15 -9.43 0 5 0 46 338.444 13

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155?/0.3mm Alfa-Aesar
BP [°C] 180 (p=1 torr) Acros Organics
BP 195 / 2 TCI
Solubility: Benzene, Chloroform, Ethanol, Methanol, Toronto Research Chemicals
Solubility: Chloroform Toronto Research Chemicals
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
Therapy insecticide synergist SMDC Pharmakon
Melting Pt.: N/A Toronto Research Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R24: Toxic in contact with skin. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.