UCSF

ZINC02575909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: Ethyl 3-(3-fluorophenyl)-3-oxopropanoate Ethyl 3-(3-fluorophenyl)-3-oxopr…

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CAS Numbers: 33166-77-7 , [33166-77-7]

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) 1.80 7.71 -15.72 0 3 0 43 210.204 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem

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Rings

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

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