Molecule

ID:26122

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClO₃
Molecular Mass
260.67246
Exact Mass
260.02402183
Charge
0
InChI
InChI=1S/C14H9ClO3/c15-13-4-2-1-3-12(13)14(17)18-11-7-5-10(9-16)6-8-11/h1-9H
InChIKey
XDGLKTRAKKASEH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9512281
LogD (pH = 7.4)
3.9512281
Log P
3.9512281
Molar Refractivity
69.2497
Polarizability
26.271427
Polar Surface Area
43.37
Rotatable Bonds
4
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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