Molecule

ID:73841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂
Molecular Mass
201.0924
Exact Mass
200.01595568
Charge
0
InChI
InChI=1S/C10H10Cl2/c1-7-5-9(6-8(2)11)3-4-10(7)12/h3-5H,2,6H2,1H3
InChIKey
PTIVROXVIACMTE-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1ccc(c(c1)C)Cl
Isomeric Smiles
Clc1c(cc(cc1)CC(=C)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2701383
LogD (pH = 7.4)
4.2701383
Log P
4.2701383
Molar Refractivity
55.0615
Polarizability
21.057583
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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