Molecule

ID:85332

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
InChIKey
MAUFTTLGOUBZNA-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1cccc(=O)o1
Isomeric Smiles
o1c(=O)cccc1CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8043237
LogD (pH = 7.4)
2.8043237
Log P
2.8043237
Molar Refractivity
50.2416
Polarizability
18.699652
Polar Surface Area
26.3
Rotatable Bonds
4
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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