Molecule

ID:84168

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₃O₃
Molecular Mass
297.56224
Exact Mass
295.97737725
Charge
0
InChI
InChI=1S/C11H11Cl3O3/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5H,1-3H3
InChIKey
GIFCGZFRCYDMNG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=C(Cl)Cl)Cl
Isomeric Smiles
ClC(=C(Cl)Cl)c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1453257
LogD (pH = 7.4)
3.1453257
Log P
3.1453257
Molar Refractivity
80.2497
Polarizability
27.05743
Polar Surface Area
27.69
Rotatable Bonds
4
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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