Molecule

ID:127452

General Information

Structure

MolImage

Molecular Formula

C₂H₂ClFO

Molecular Mass

96.4880832

Exact Mass

95.97782058

Charge

0

InChI

InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2

InChIKey

ZBHDTYQJAQDBIH-UHFFFAOYSA-N

Canonic Smiles

FCC(=O)Cl

Isomeric Smiles

FCC(=O)Cl

Calculated Properties

JChem

Acid pKa

16.392454

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.38382766

LogD (pH = 7.4)

0.38382766

Log P

0.38382766

Molar Refractivity

16.5123

Polarizability

6.4039845

Polar Surface Area

17.07

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity