Molecule

ID:50083

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂O₂
Molecular Mass
245.1019
Exact Mass
244.00578492
Charge
0
InChI
InChI=1S/C11H10Cl2O2/c12-9-3-8(5-14)11(10(13)4-9)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey
ILWCNDOTANGQQP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OCC1CC1)Cl
Isomeric Smiles
c1(c(c(cc(c1)Cl)Cl)OCC1CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5167434
LogD (pH = 7.4)
3.5167434
Log P
3.5167434
Molar Refractivity
60.6568
Polarizability
23.3563
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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