Molecule

ID:84077

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂O₄
Molecular Mass
277.1007
Exact Mass
275.99561416
Charge
0
InChI
InChI=1S/C11H10Cl2O4/c1-2-16-10(15)6-17-11-7(5-14)3-8(12)4-9(11)13/h3-5H,2,6H2,1H3
InChIKey
QPUVQSXODORTAY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1c(Cl)cc(cc1C=O)Cl
Isomeric Smiles
O(c1c(cc(cc1Cl)Cl)C=O)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7168515
LogD (pH = 7.4)
2.7168515
Log P
2.7168515
Molar Refractivity
64.3171
Polarizability
24.955189
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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