Molecule

ID:112912

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂O₆
Molecular Mass
271.05152
Exact Mass
269.96979334
Charge
0
InChI
InChI=1S/C8H8Cl2O6/c9-7(11)15-3-1-13-6-4(16-8(10)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5?,6?/m1/s1
InChIKey
WXQRCZYCGISTAS-GQNXIQCSSA-N
Canonic Smiles
ClC(=O)O[C@@H]1COC2C1OC[C@H]2OC(=O)Cl
Isomeric Smiles
C12C(OC[C@H]2OC(=O)Cl)[C@H](OC(=O)Cl)CO1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4890926
LogD (pH = 7.4)
1.4890926
Log P
1.4890926
Molar Refractivity
51.1124
Polarizability
21.196447
Polar Surface Area
71.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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