Molecule

ID:40270

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO₂
Molecular Mass
232.66236
Exact Mass
232.02910721
Charge
0
InChI
InChI=1S/C13H9ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H
InChIKey
JEPWDAWNQGZIFB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1cccc(c1)Cl
Isomeric Smiles
c1(Oc2cc(Cl)ccc2)c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.79008
LogD (pH = 7.4)
3.79008
Log P
3.79008
Molar Refractivity
63.6876
Polarizability
24.414701
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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