Molecule

ID:108171

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey
ODELFXJUOVNEFZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)(c1ccccc1)C
Isomeric Smiles
CC(C(=O)O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.434949
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7443702
LogD (pH = 7.4)
0.98298156
Log P
3.8437986
Molar Refractivity
66.4156
Polarizability
25.96126
Polar Surface Area
37.3
Rotatable Bonds
3
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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