UCSF

ZINC12480859

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 16 No

Popular Name: 3-(2-(Trifluoromethoxy)phenyl)acrylic acid 3-(2-(Trifluoromethoxy)phenyl)ac…

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CAS Numbers: 399579-92-1 , 399580-48-4 , [399580-48-4]

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) 2.65 5.21 -51.31 0 3 -1 49 231.149 4 ↓
Hi High (pH 8-9.5) 1.96 2.62 -17.05 2 7 0 102 430.526 8 ↓

Vendor Notes

Note Type Comments Provided By
MP 174 - 176 Enamine Building Blocks
MP 174...176 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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