Molecule

ID:26084

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂O₃
Molecular Mass
325.18656
Exact Mass
324.03199967
Charge
0
InChI
InChI=1S/C16H14Cl2O3/c1-2-20-16-8-11(9-19)6-7-15(16)21-10-12-13(17)4-3-5-14(12)18/h3-9H,2,10H2,1H3
InChIKey
YYKGJSYGQDBZLW-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(COc2c(cc(C=O)cc2)OCC)c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.659776
LogD (pH = 7.4)
4.659776
Log P
4.659776
Molar Refractivity
84.5392
Polarizability
32.464592
Polar Surface Area
35.53
Rotatable Bonds
6
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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