Molecule

ID:67459

General Information
Structure
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,12H,4-6H2
InChIKey
SPOWVZSMEMISBG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c(C1)cccc2O
Isomeric Smiles
C1C(=O)CCc2c(cccc12)O
Calculated Properties
JChem
Acid pKa
9.272431
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9426441
LogD (pH = 7.4)
1.936965
Log P
1.942717
Molar Refractivity
46.1625
Polarizability
17.634491
Polar Surface Area
37.3
Rotatable Bonds
0
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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