Molecule

ID:68445

General Information
Structure
Molecular Formula
C₁₂H₈Cl₂O
Molecular Mass
239.09732
Exact Mass
237.99522024
Charge
0
InChI
InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChIKey
HPRGYUWRGCTBAV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1cccc(c1)Cl
Isomeric Smiles
c1(cc(ccc1)Oc1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6816225
LogD (pH = 7.4)
4.6816225
Log P
4.6816225
Molar Refractivity
61.9084
Polarizability
24.38134
Polar Surface Area
9.23
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
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References
Bioactivity
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