Molecule
ID:80418
General Information
Molecular Formula
C₆H₁₃Cl
Molecular Mass
120.62042
Exact Mass
120.0705781
Charge
0
InChI
InChI=1S/C6H13Cl/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
InChIKey
QUKRJOOWAUJXJN-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(C)C
Isomeric Smiles
ClCCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8915017
LogD (pH = 7.4)
2.8915017
Log P
2.8915017
Molar Refractivity
34.3355
Polarizability
13.593822
Polar Surface Area
0.0
Rotatable Bonds
3
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
No Data Available
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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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