Molecule

ID:126502

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₄O₃PS
Molecular Mass
336.000501
Exact Mass
333.89206256
Charge
0
InChI
InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3
InChIKey
XFDJMIHUAHSGKG-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC
Isomeric Smiles
ClC(OP(=S)(OCC)OCC)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.121954
LogD (pH = 7.4)
4.121954
Log P
4.121954
Molar Refractivity
70.1089
Polarizability
28.232016
Polar Surface Area
27.69
Rotatable Bonds
7
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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