UCSF

ZINC01615312

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) 0.49 0.64 -9.28 0 4 0 44 202.25 9

Vendor Notes

Note Type Comments Provided By
Boiling_Point 157-158?/11mm Alfa-Aesar
Boiling_Point 157-158°/11mm Alfa-Aesar
BP 160 / 11 TCI
BP [°C] 266 Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H317: May cause an allergic skin reaction; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H412: Harmful 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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