UCSF

ZINC00157737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4-(Trifluoromethyl)phenyl acetate 4-(Trifluoromethyl)phenyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 78950-29-5 , [78950-29-5]

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) 2.38 4.92 -6.48 0 2 0 26 204.147 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0550112A1; EP0758013A1; EP0758013B1; EP0885199A1; EP0898963A2; EP0933365A2; EP0934298A1; EP0937057A1; EP0937060A1; EP0937062A1; US4535186; US4611078; US4761501; US4968700; US4988810; US5043347; US5068244; US5130329; US5234944; US5385923; US5489604; US56 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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