Molecule

ID:94353

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂F
Molecular Mass
179.0190032
Exact Mass
177.97523374
Charge
0
InChI
InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
ILWFNKLXPUKLEP-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)F)Cl
Isomeric Smiles
ClCc1cc(c(cc1)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3072345
LogD (pH = 7.4)
3.3072345
Log P
3.3072345
Molar Refractivity
40.9461
Polarizability
15.645613
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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