Molecule

ID:83440

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₄
Molecular Mass
247.977
Exact Mass
245.95366104
Charge
0
InChI
InChI=1S/C8H10Cl4/c1-5(3-7(5,9)10)6(2)4-8(6,11)12/h3-4H2,1-2H3
InChIKey
MCBKMXZCZYBXDU-UHFFFAOYSA-N
Canonic Smiles
CC1(CC1(Cl)Cl)C1(C)CC1(Cl)Cl
Isomeric Smiles
ClC1(C(C2(C(C2)(Cl)Cl)C)(C1)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.96532
LogD (pH = 7.4)
3.96532
Log P
3.96532
Molar Refractivity
54.986
Polarizability
21.510513
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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