Molecule

ID:92560

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO₂
Molecular Mass
232.66236
Exact Mass
232.02910721
Charge
0
InChI
InChI=1S/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKey
AOOZVQGGMFGGEE-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)C(=O)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6644456
LogD (pH = 7.4)
3.6644456
Log P
3.6644456
Molar Refractivity
63.4135
Polarizability
24.39482
Polar Surface Area
26.3
Rotatable Bonds
3
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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