Molecule

ID:110015

General Information
Structure
MolImage
Molecular Formula
C₆H₈Cl₂O₂
Molecular Mass
183.03252
Exact Mass
181.99013486
Charge
0
InChI
InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2
InChIKey
PWAXUOGZOSVGBO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCCCC(=O)Cl
Isomeric Smiles
ClC(=O)CCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5573137
LogD (pH = 7.4)
1.5573137
Log P
1.5573137
Molar Refractivity
40.456
Polarizability
15.817253
Polar Surface Area
34.14
Rotatable Bonds
5
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
References
Bioactivity
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