Molecule

ID:7023

General Information

Structure

MolImage

Molecular Formula

C₂H₄ClF

Molecular Mass

82.5045632

Exact Mass

81.99855603

Charge

0

InChI

InChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3

InChIKey

YACLCMMBHTUQON-UHFFFAOYSA-N

Canonic Smiles

CC(Cl)F

Isomeric Smiles

C(C)(Cl)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

1.0850437

LogD (pH = 7.4)

1.0850437

Log P

1.0850437

Molar Refractivity

16.3621

Polarizability

6.1382985

Polar Surface Area

0.0

Rotatable Bonds

0

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