Molecule

ID:56689

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₂
Molecular Mass
219.06462
Exact Mass
217.99013486
Charge
0
InChI
InChI=1S/C9H8Cl2O2/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3
InChIKey
CDGDMQMBRZYOND-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccccc1Cl)C
Isomeric Smiles
C(=O)(C(Oc1c(Cl)cccc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9996965
LogD (pH = 7.4)
2.9996965
Log P
2.9996965
Molar Refractivity
51.763
Polarizability
20.423262
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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