UCSF

ZINC00056575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 No

Popular Name: 4-(Trifluoromethyl)cinnamic acid 4-(Trifluoromethyl)cinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16642-92-5 , 2062-26-2 , [2062-26-2]

Download: MOL2 SDF SMILES Flexibase

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) 2.81 3.26 -46.13 0 2 -1 40 215.15 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 230-231° Matrix Scientific
Melting_Point 230-234? Alfa-Aesar
Melting_Point 230-234° Alfa-Aesar
MP 231 TCI
MP 231 - 233 Enamine Building Blocks
MP 231...233 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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