Molecule
ID:111103
General Information
Molecular Formula
C₇H₁₄Cl₂
Molecular Mass
169.09206
Exact Mass
168.04725581
Charge
0
InChI
InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
PSEMXLIZFGUOGC-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCCl
Isomeric Smiles
ClCCCCCCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.411533
LogD (pH = 7.4)
3.411533
Log P
3.411533
Molar Refractivity
43.9686
Polarizability
17.275013
Polar Surface Area
0.0
Rotatable Bonds
6
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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