Molecule

ID:98174

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClF₂
Molecular Mass
126.5323064
Exact Mass
126.00478428
Charge
0
InChI
InChI=1S/C4H5ClF2/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKey
HFOJHYWCUHUJPG-UHFFFAOYSA-N
Canonic Smiles
ClCCC=C(F)F
Isomeric Smiles
ClCCC=C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0350757
LogD (pH = 7.4)
2.0350757
Log P
2.0350757
Molar Refractivity
36.3596
Polarizability
9.380536
Polar Surface Area
0.0
Rotatable Bonds
2
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
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