Molecule

ID:40269

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₂
Molecular Mass
267.10742
Exact Mass
265.99013486
Charge
0
InChI
InChI=1S/C13H8Cl2O2/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h1-8H
InChIKey
AEAYPCKDEZKJMI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccc(cc1Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1)Cl)Cl)c1c(C=O)cccc1
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
26.323927
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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