Molecule

ID:73605

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₂
Molecular Mass
219.06462
Exact Mass
217.99013486
Charge
0
InChI
InChI=1S/C9H8Cl2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChIKey
HAFAMHIZRCDTSS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1c(cccc1Cl)Cl)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.54162
LogD (pH = 7.4)
3.54162
Log P
3.54162
Molar Refractivity
52.4415
Polarizability
20.441853
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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