Molecule

ID:84166

General Information
Structure
Molecular Formula
C₁₁H₁₂Cl₄O₃
Molecular Mass
334.02318
Exact Mass
331.95405496
Charge
0
InChI
InChI=1S/C11H12Cl4O3/c1-16-7-4-6(10(12)11(13,14)15)5-8(17-2)9(7)18-3/h4-5,10H,1-3H3
InChIKey
CKHRLZJNSCRUME-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(C(Cl)(Cl)Cl)Cl
Isomeric Smiles
ClC(C(c1cc(c(c(c1)OC)OC)OC)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.722397
LogD (pH = 7.4)
3.722397
Log P
3.722397
Molar Refractivity
74.9392
Polarizability
29.141512
Polar Surface Area
27.69
Rotatable Bonds
5
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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