Molecule

ID:79509

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
InChIKey
QVHRAGBOMUXWRI-UHFFFAOYSA-N
Canonic Smiles
C=CCc1c(O)cccc1C=O
Isomeric Smiles
O=Cc1cccc(c1CC=C)O
Calculated Properties
JChem
Acid pKa
8.750138
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4805112
LogD (pH = 7.4)
2.4619079
Log P
2.4807537
Molar Refractivity
48.9102
Polarizability
18.105412
Polar Surface Area
37.3
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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