Molecule

ID:57166

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO
Molecular Mass
216.66296
Exact Mass
216.03419259
Charge
0
InChI
InChI=1S/C13H9ClO/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H/b9-8+
InChIKey
OPIGLBSXOOGSLX-CMDGGOBGSA-N
Canonic Smiles
ClC(=O)/C=C/c1cccc2c1cccc2
Isomeric Smiles
c1c2cccc(/C=C/C(=O)Cl)c2ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6588926
LogD (pH = 7.4)
3.6588926
Log P
3.6588926
Molar Refractivity
63.3686
Polarizability
25.147066
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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