Molecule

ID:120427

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂O₂
Molecular Mass
241.07014
Exact Mass
239.97448479
Charge
0
InChI
InChI=1S/C11H6Cl2O2/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H
InChIKey
YPZJTGPIDJPIQD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1ccc(o1)C(=O)Cl
Isomeric Smiles
c1(oc(C(=O)Cl)cc1)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3956761
LogD (pH = 7.4)
3.3956761
Log P
3.3956761
Molar Refractivity
59.3821
Polarizability
23.795067
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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