Molecule

ID:100041

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂F
Molecular Mass
179.0190032
Exact Mass
177.97523374
Charge
0
InChI
InChI=1S/C7H5Cl2F/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3
InChIKey
KTALPDCZIOJQOW-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1C)Cl
Isomeric Smiles
Fc1c(cc(c(c1)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8374586
LogD (pH = 7.4)
3.8374586
Log P
3.8374586
Molar Refractivity
40.9252
Polarizability
15.625468
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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