Molecule

ID:10677

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂
Molecular Mass
175.05512
Exact Mass
174.00030562
Charge
0
InChI
InChI=1S/C8H8Cl2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey
KMXUKZCMNKLUTF-UHFFFAOYSA-N
Canonic Smiles
ClCCc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)CCCl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.453194
LogD (pH = 7.4)
3.453194
Log P
3.453194
Molar Refractivity
45.4847
Polarizability
17.616789
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
References
Bioactivity
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