Molecule

ID:135112

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂O₂
Molecular Mass
205.00746968
Exact Mass
203.9655444
Charge
0
InChI
InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H/i7+1,8+1
InChIKey
FYXKZNLBZKRYSS-BFGUONQLSA-N
Canonic Smiles
Cl[13C](=O)c1ccccc1[13C](=O)Cl
Isomeric Smiles
c1ccc(c(c1)[13C](=O)Cl)[13C](=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3550708
LogD (pH = 7.4)
2.3550708
Log P
2.3550708
Molar Refractivity
48.2874
Polarizability
17.937393
Polar Surface Area
34.14
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
References
Bioactivity
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