UCSF

ZINC17654097

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) -0.24 0.08 -38.6 3 1 1 28 58.104 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 88 Acros Organics
Melting_Point 88? Alfa-Aesar
Melting_Point 88° Alfa-Aesar
BP [°C] 53 Acros Organics
Boiling_Point 53-54? Alfa-Aesar
Boiling_Point 53-54° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; T: Toxic; N: Dangerous for the environment Acros Organics
H phrase H225: Highly flammable liquid and vapor; H301: Toxic if swallowed; H310: Fatal in contact with skin; H330: Fatal if inhaled; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cau Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possibl Acros Organics

Activity (Go SEA)

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