Molecule

ID:85268

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₆
Molecular Mass
338.87264
Exact Mass
335.86006627
Charge
0
InChI
InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
InChIKey
XCJXQCUJXDUNDN-UHFFFAOYSA-N
Canonic Smiles
ClC1=C(Cl)C2(C(C1(Cl)C1C2CC=C1)(Cl)Cl)Cl
Isomeric Smiles
ClC12C(C(C3C1C=CC3)(Cl)C(=C2Cl)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6189547
LogD (pH = 7.4)
4.6189547
Log P
4.6189547
Molar Refractivity
72.4618
Polarizability
27.809103
Polar Surface Area
0.0
Rotatable Bonds
0
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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