UCSF

ZINC39054868

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 No

Popular Name: 2-Chloro-1-(3-fluorophenyl)ethanone 2-Chloro-1-(3-fluorophenyl)ethanone

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CAS Numbers: 53688-18-9 , [53688-18-9]

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) 2.21 5.69 -6.81 0 1 0 17 172.586 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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