Molecule

ID:96909

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₃F
Molecular Mass
213.4640632
Exact Mass
211.93626139
Charge
0
InChI
InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey
JYLVSNNSOWDQQX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(Cl)(Cl)Cl
Isomeric Smiles
ClC(c1c(cccc1)F)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.613856
LogD (pH = 7.4)
3.613856
Log P
3.613856
Molar Refractivity
46.7525
Polarizability
17.535479
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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