Molecule

ID:84006

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂O₃
Molecular Mass
217.00568
Exact Mass
215.93809928
Charge
0
InChI
InChI=1S/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
InChIKey
ULSOWUBMELTORB-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1cc(Cl)c(c2)Cl
Isomeric Smiles
O1C(=O)c2c(cc(c(c2)Cl)Cl)C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.630673
LogD (pH = 7.4)
2.630673
Log P
2.630673
Molar Refractivity
46.9746
Polarizability
18.060589
Polar Surface Area
43.37
Rotatable Bonds
0
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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