Molecule

ID:91505

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₂S
Molecular Mass
237.18916
Exact Mass
236.01932681
Charge
0
InChI
InChI=1S/C10H14Cl2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
InChIKey
PCILERIXBDAQNJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1cc(sc1Cl)Cl
Isomeric Smiles
s1c(cc(c1Cl)CCCCCC)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.0300336
LogD (pH = 7.4)
6.0300336
Log P
6.0300336
Molar Refractivity
59.1394
Polarizability
23.812838
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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