Molecule

ID:84167

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₄O₂
Molecular Mass
303.9972
Exact Mass
301.94349028
Charge
0
InChI
InChI=1S/C10H10Cl4O2/c1-15-7-4-3-6(5-8(7)16-2)9(11)10(12,13)14/h3-5,9H,1-2H3
InChIKey
AVANJYCNHDNKEL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(C(Cl)(Cl)Cl)Cl
Isomeric Smiles
ClC(C(c1ccc(c(c1)OC)OC)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8800685
LogD (pH = 7.4)
3.8800685
Log P
3.8800685
Molar Refractivity
68.476
Polarizability
26.578438
Polar Surface Area
18.46
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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