Molecule

ID:100563

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₄
Molecular Mass
247.0169728
Exact Mass
245.96261837
Charge
0
InChI
InChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKey
ZFNDPTMROCQNRJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C(Cl)(F)F)(Cl)F
Isomeric Smiles
ClC(c1ccc(cc1)C(Cl)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.142316
LogD (pH = 7.4)
4.142316
Log P
4.142316
Molar Refractivity
47.675
Polarizability
17.16568
Polar Surface Area
0.0
Rotatable Bonds
2
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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