UCSF

ZINC12405193

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) 3.43 8.85 -10.81 0 4 0 53 228.288 10

Vendor Notes

Note Type Comments Provided By
MP 85 TCI
BP 161 / 24 TCI
BP [°C] 274 - 277 Acros Organics
Boiling_Point 281? Alfa-Aesar
Boiling_Point 281° Alfa-Aesar
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P273: Avoid release to the environment Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
R phrase R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S29: Do not empty into drains.; S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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