Molecule

ID:73809

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl
Molecular Mass
166.64734
Exact Mass
166.05492803
Charge
0
InChI
InChI=1S/C10H11Cl/c1-8-4-3-5-10(6-8)7-9(2)11/h3-6H,2,7H2,1H3
InChIKey
TVWFKYCFNFQIAK-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1cccc(c1)C
Isomeric Smiles
ClC(=C)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6660936
LogD (pH = 7.4)
3.6660936
Log P
3.6660936
Molar Refractivity
50.2567
Polarizability
19.209156
Polar Surface Area
0.0
Rotatable Bonds
2
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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