UCSF

ZINC39320114

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 11 Yes

Popular Name: 2-Hydroxy-1-(4-iodophenyl)ethanone 2-Hydroxy-1-(4-iodophenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Number: 78812-64-3

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) 1.91 3.99 -10.1 1 2 0 37 262.046 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0305952A1; EP0428268A2; EP0428268A3; US6046216 IBM Patent Data

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