Molecule
ID:97911
General Information
Molecular Formula
C₈H₆Cl₂F₂
Molecular Mass
211.0360464
Exact Mass
209.98146199
Charge
0
InChI
InChI=1S/C8H6Cl2F2/c1-8(11,12)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
CNYNOBPPFWUEKA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(F)(F)C
Isomeric Smiles
Clc1cc(c(cc1)C(C)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.818486
LogD (pH = 7.4)
3.818486
Log P
3.818486
Molar Refractivity
45.7734
Polarizability
17.364101
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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