Molecule

ID:82205

General Information
Structure
Molecular Formula
C₈H₁₀Cl₂S
Molecular Mass
209.136
Exact Mass
207.98802668
Charge
0
InChI
InChI=1S/C8H10Cl2S/c1-5-7(3-9)8(4-10)6(2)11-5/h3-4H2,1-2H3
InChIKey
UOAVLAVHDBWBGV-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(C)sc(c1CCl)C
Isomeric Smiles
s1c(c(c(c1C)CCl)CCl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2198935
LogD (pH = 7.4)
4.2198935
Log P
4.2198935
Molar Refractivity
53.0102
Polarizability
19.876001
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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