Molecule

ID:35547

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂O₂
Molecular Mass
241.07014
Exact Mass
239.97448479
Charge
0
InChI
InChI=1S/C11H6Cl2O2/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
RKZWOCAAXGBQBN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cc(Cl)ccc1Cl
Isomeric Smiles
c1(c2c(ccc(c2)Cl)Cl)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5213106
LogD (pH = 7.4)
3.5213106
Log P
3.5213106
Molar Refractivity
59.6562
Polarizability
23.804995
Polar Surface Area
30.21
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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