UCSF

ZINC05751111

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 11 No

Popular Name: 1-Propanone, 2-fluoro-1-phenyl- (9CI) 1-Propanone, 2-fluoro-1-phenyl- …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21120-36-5 , 88208-12-2

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) 2.12 2.32 -4.91 0 1 0 17 152.168 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5071858 IBM Patent Data

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