Molecule

ID:80947

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₂
Molecular Mass
219.06462
Exact Mass
217.99013486
Charge
0
InChI
InChI=1S/C9H8Cl2O2/c10-3-6-1-8(11)2-7-4-12-5-13-9(6)7/h1-2H,3-5H2
InChIKey
VEWSVLVKOXZHGM-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(Cl)cc2c1OCOC2
Isomeric Smiles
O1c2c(cc(cc2COC1)Cl)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.821214
LogD (pH = 7.4)
2.821214
Log P
2.821214
Molar Refractivity
51.6005
Polarizability
20.248697
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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