Molecule
ID:86371
General Information
Molecular Formula
C₉H₁₇Cl
Molecular Mass
160.68428
Exact Mass
160.10187822
Charge
0
InChI
InChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h1,3-8H2,2H3
InChIKey
WPPNRBVXACSCEG-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCC(=C)C
Isomeric Smiles
ClCCCCCCC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8775618
LogD (pH = 7.4)
3.8775618
Log P
3.8775618
Molar Refractivity
47.916
Polarizability
18.884077
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
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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