Molecule

ID:94448

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₃F
Molecular Mass
213.4640632
Exact Mass
211.93626139
Charge
0
InChI
InChI=1S/C7H4Cl3F/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,7H
InChIKey
LQIXIKRJISFVEC-UHFFFAOYSA-N
Canonic Smiles
ClC(c1c(F)cccc1Cl)Cl
Isomeric Smiles
Fc1cccc(c1C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9759347
LogD (pH = 7.4)
3.9759347
Log P
3.9759347
Molar Refractivity
46.0002
Polarizability
17.566416
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
No Data Available
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Molecule Details
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References
Bioactivity
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