Molecule

ID:11874

General Information

Structure

MolImage

Molecular Formula

C₂H₃ClFNO

Molecular Mass

111.5027232

Exact Mass

110.98871962

Charge

0

InChI

InChI=1S/C2H3ClFNO/c3-1(4)2(5)6/h1H,(H2,5,6)

InChIKey

BUIKMFCMUJNGDU-UHFFFAOYSA-N

Canonic Smiles

NC(=O)C(Cl)F

Isomeric Smiles

C(=O)(C(F)Cl)N

Calculated Properties

JChem

Acid pKa

9.701878

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.18216284

LogD (pH = 7.4)

-0.18026662

Log P

-0.18218718

Molar Refractivity

19.5232

Polarizability

7.557814

Polar Surface Area

43.09

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity