Molecule

ID:12445

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChIKey
MSCYILGZMAMAQX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)oc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c(o2)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0444329
LogD (pH = 7.4)
2.0444329
Log P
2.0444329
Molar Refractivity
46.6328
Polarizability
18.380852
Polar Surface Area
30.21
Rotatable Bonds
1
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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