UCSF

ZINC02382172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 3-(Trifluoromethoxy)anisole 3-(Trifluoromethoxy)anisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 142738-94-1 , [142738-94-1]

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) 2.94 2.75 -3.66 0 2 0 18 192.136 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 72 - 73 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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