Molecule

ID:17360

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h1,3-6,8H,7H2
InChIKey
PEERMPFPCWSJLC-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccccc1C=O
Isomeric Smiles
C(#C)COc1c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7561599
LogD (pH = 7.4)
1.7561599
Log P
1.7561599
Molar Refractivity
46.6854
Polarizability
17.323843
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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