Molecule

ID:17677

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,11,12)
InChIKey
FOJQJDBJBNEHTO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)CCC2
Isomeric Smiles
c12c(ccc(c1)C(=O)O)CCC2
Calculated Properties
JChem
Acid pKa
4.2396693
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3572979
LogD (pH = 7.4)
-0.36756232
Log P
2.6385143
Molar Refractivity
46.1954
Polarizability
17.291395
Polar Surface Area
37.3
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
No Data Available
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Molecule Details
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References
Bioactivity
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