Molecule

ID:9084

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O
Molecular Mass
251.10802
Exact Mass
249.99522024
Charge
0
InChI
InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
FAVKIHMGRWRACA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)c1ccccc1)Cl
Isomeric Smiles
c1(ccc(c(c1)C(=O)c1ccccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6406884
LogD (pH = 7.4)
4.6406884
Log P
4.6406884
Molar Refractivity
66.2431
Polarizability
25.720488
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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