Molecule

ID:67888

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₂
Molecular Mass
219.06462
Exact Mass
217.99013486
Charge
0
InChI
InChI=1S/C9H8Cl2O2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,1H3
InChIKey
BUGNHCGQRDZRSQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1Cl)Cl
Isomeric Smiles
C(=O)(C(c1c(cccc1)Cl)Cl)OC
Calculated Properties
JChem
Acid pKa
18.624762
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0003662
LogD (pH = 7.4)
3.0003662
Log P
3.0003662
Molar Refractivity
51.3287
Polarizability
20.384813
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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