Molecule

ID:43166

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O
Molecular Mass
251.10802
Exact Mass
249.99522024
Charge
0
InChI
InChI=1S/C13H8Cl2O/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-8H
InChIKey
OMFFUMDRNYYSFR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)Cl)Cl)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.541063
LogD (pH = 7.4)
4.541063
Log P
4.541063
Molar Refractivity
67.3878
Polarizability
26.922293
Polar Surface Area
17.07
Rotatable Bonds
2
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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