UCSF

ZINC00155150

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) 3.03 2.15 -10 0 2 0 26 226.275 4

Vendor Notes

Note Type Comments Provided By
BP [°C] 188 - 189 (p=15 torr) Acros Organics
Boiling_Point 188-189?/15mm Alfa-Aesar
Boiling_Point 188-189°/15mm Alfa-Aesar
BP 189 / 15 TCI
Mp [°C] 45 - 49 Acros Organics
Melting_Point 46-50? Alfa-Aesar
Melting_Point 46-50° Alfa-Aesar
MP 50 TCI
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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