Molecule
ID:87141
General Information
Molecular Formula
C₇H₁₁Cl₃O₂
Molecular Mass
233.52004
Exact Mass
231.98246263
Charge
0
InChI
InChI=1S/C7H11Cl3O2/c1-3-4-6(7(8,9)10)12-5(2)11/h6H,3-4H2,1-2H3
InChIKey
GDKFQJCNNANHST-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(Cl)(Cl)Cl)OC(=O)C
Isomeric Smiles
O(C(C(Cl)(Cl)Cl)CCC)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8813705
LogD (pH = 7.4)
2.8813705
Log P
2.8813705
Molar Refractivity
50.9111
Polarizability
20.115135
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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