Molecule

ID:43167

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O
Molecular Mass
251.10802
Exact Mass
249.99522024
Charge
0
InChI
InChI=1S/C13H8Cl2O/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h1-8H
InChIKey
CMBZZYKUZBAYQD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c2c(C=O)cccc2)cc(c(cc1)Cl)Cl
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
26.925875
Polar Surface Area
17.07
Rotatable Bonds
2
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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