Molecule

ID:104649

General Information
Structure
MolImage
Molecular Formula
C₄H₄Cl₂O₂
Molecular Mass
154.97936
Exact Mass
153.95883473
Charge
0
InChI
InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2
InChIKey
IRXBNHGNHKNOJI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCC(=O)Cl
Isomeric Smiles
ClC(=O)CCC(=O)Cl
Calculated Properties
JChem
Acid pKa
16.798773
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6681763
LogD (pH = 7.4)
0.6681763
Log P
0.6681763
Molar Refractivity
31.254
Polarizability
12.218524
Polar Surface Area
34.14
Rotatable Bonds
3
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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