Molecule

ID:89661

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₂
Molecular Mass
267.10742
Exact Mass
265.99013486
Charge
0
InChI
InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChIKey
BISWHYILBVQCRA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
Isomeric Smiles
O=Cc1cc(ccc1)Oc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3941245
LogD (pH = 7.4)
4.3941245
Log P
4.3941245
Molar Refractivity
68.4924
Polarizability
26.31167
Polar Surface Area
26.3
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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