Molecule

ID:52233

General Information
Structure
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey
MVFHRQWYCXYYMU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(CCc1ccc(cc1)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.7432365
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8766897
LogD (pH = 7.4)
1.0997043
Log P
3.702788
Molar Refractivity
67.1028
Polarizability
27.362354
Polar Surface Area
37.3
Rotatable Bonds
4
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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