Molecule
ID:77263
General Information
Molecular Formula
C₁₁H₁₂Cl₂O₃
Molecular Mass
263.11718
Exact Mass
262.0163496
Charge
0
InChI
InChI=1S/C11H12Cl2O3/c1-3-15-10-8(12)5-7(6-9(10)13)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKey
SYAONARMDDWWPI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(Cl)c(c(c1)Cl)OCC
Isomeric Smiles
O=C(c1cc(c(c(c1)Cl)OCC)Cl)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7407568
LogD (pH = 7.4)
3.7407568
Log P
3.7407568
Molar Refractivity
63.6533
Polarizability
24.823734
Polar Surface Area
35.53
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
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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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