Molecule

ID:71780

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₄
Molecular Mass
287.09552
Exact Mass
285.9799641
Charge
0
InChI
InChI=1S/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)
InChIKey
DGUXQMFHNWGUES-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)COc1cccc(c1Cl)Cl
Isomeric Smiles
o1c(ccc1C(=O)O)COc1cccc(c1Cl)Cl
Calculated Properties
JChem
Acid pKa
3.112363
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0268066
LogD (pH = 7.4)
-0.07366404
Log P
3.3859677
Molar Refractivity
66.268
Polarizability
25.598087
Polar Surface Area
59.67
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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