Molecule

ID:87596

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
InChIKey
GONWJZJNVDRECJ-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1ccco1
Isomeric Smiles
o1cccc1C(=O)CCC
Calculated Properties
JChem
Acid pKa
15.606484
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7362444
LogD (pH = 7.4)
1.7362444
Log P
1.7362444
Molar Refractivity
38.0796
Polarizability
14.621922
Polar Surface Area
30.21
Rotatable Bonds
3
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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