Molecule

ID:80442

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂O₃
Molecular Mass
295.11752
Exact Mass
293.98504948
Charge
0
InChI
InChI=1S/C14H8Cl2O3/c15-11-6-10(8-17)13(12(16)7-11)19-14(18)9-4-2-1-3-5-9/h1-8H
InChIKey
FOCRFYXDZLJAIW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OC(=O)c1ccccc1)Cl
Isomeric Smiles
O(c1c(cc(cc1Cl)Cl)C=O)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.555273
LogD (pH = 7.4)
4.555273
Log P
4.555273
Molar Refractivity
74.0545
Polarizability
28.191776
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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