Molecule

ID:104671

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂O₂
Molecular Mass
203.02216
Exact Mass
201.95883473
Charge
0
InChI
InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
InChIKey
LXEJRKJRKIFVNY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)C(=O)Cl
Isomeric Smiles
ClC(=O)c1ccc(cc1)C(=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
17.93473
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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