Molecule

ID:73840

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl
Molecular Mass
166.64734
Exact Mass
166.05492803
Charge
0
InChI
InChI=1S/C10H11Cl/c1-3-4-9-5-6-10(11)8(2)7-9/h3,5-7H,1,4H2,2H3
InChIKey
OKYCTIWNBQWQTJ-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)C)Cl
Isomeric Smiles
Clc1c(cc(cc1)CC=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1892824
LogD (pH = 7.4)
4.1892824
Log P
4.1892824
Molar Refractivity
50.1913
Polarizability
19.246017
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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