Molecule

ID:51730

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO
Molecular Mass
216.66296
Exact Mass
216.03419259
Charge
0
InChI
InChI=1S/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
InChIKey
VNKJIEIGSAHDGE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccccc1Cl
Isomeric Smiles
c1(c2c(C=O)cccc2)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9370182
LogD (pH = 7.4)
3.9370182
Log P
3.9370182
Molar Refractivity
62.583
Polarizability
25.075636
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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