Molecule

ID:28203

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2
InChIKey
BXCJDECTRRMSCV-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1C=O
Isomeric Smiles
c1(c(OCC=C)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2593267
LogD (pH = 7.4)
2.2593267
Log P
2.2593267
Molar Refractivity
48.2679
Polarizability
18.182507
Polar Surface Area
26.3
Rotatable Bonds
4
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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