Molecule

ID:25858

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₃
Molecular Mass
271.09612
Exact Mass
269.98504948
Charge
0
InChI
InChI=1S/C12H8Cl2O3/c13-11-4-3-8(5-12(11)14)16-7-10-2-1-9(6-15)17-10/h1-6H,7H2
InChIKey
TXRCNAFWWPRGEA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1ccc(c(c1)Cl)Cl
Isomeric Smiles
o1c(ccc1COc1cc(c(cc1)Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4408872
LogD (pH = 7.4)
3.4408872
Log P
3.4408872
Molar Refractivity
65.5958
Polarizability
25.065342
Polar Surface Area
39.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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