Molecule

ID:90399

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKey
KBSVBCHYXYXDAG-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(c(c1)C(=O)C)C
Isomeric Smiles
o1c(cc(c1C)C(=O)C)C
Calculated Properties
JChem
Acid pKa
15.425569
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0702615
LogD (pH = 7.4)
1.0702615
Log P
1.0702615
Molar Refractivity
39.2736
Polarizability
14.47122
Polar Surface Area
30.21
Rotatable Bonds
1
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
References
Bioactivity
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