Molecule

ID:113231

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3/b7-6+
InChIKey
OIKUPYQBJLSNAS-VOTSOKGWSA-N
Canonic Smiles
CC(=O)/C=C/c1ccccc1O
Isomeric Smiles
C(=C\C(=O)C)/c1c(O)cccc1
Calculated Properties
JChem
Acid pKa
8.867336
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1619613
LogD (pH = 7.4)
2.147676
Log P
2.1621466
Molar Refractivity
48.5919
Polarizability
18.202513
Polar Surface Area
37.3
Rotatable Bonds
2
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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