Molecule

ID:41900

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-19-15-10-6-5-9-13(15)14(16(17)18)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b14-11+
InChIKey
GHIYKYUBHWCPTK-SDNWHVSQSA-N
Canonic Smiles
COc1ccccc1/C(=C\c1ccccc1)/C(=O)O
Isomeric Smiles
C(=C\c1ccccc1)(\c1c(OC)cccc1)/C(=O)O
Calculated Properties
JChem
Acid pKa
3.995347
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1325533
LogD (pH = 7.4)
0.48477006
Log P
3.6465027
Molar Refractivity
73.9752
Polarizability
28.372381
Polar Surface Area
46.53
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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