Molecule

ID:96842

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂F
Molecular Mass
179.0190032
Exact Mass
177.97523374
Charge
0
InChI
InChI=1S/C7H5Cl2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H
InChIKey
XFAFBKQDEPXWCS-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccccc1F)Cl
Isomeric Smiles
ClC(c1c(cccc1)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.37189
LogD (pH = 7.4)
3.37189
Log P
3.37189
Molar Refractivity
41.1954
Polarizability
15.5872555
Polar Surface Area
0.0
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
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