Molecule

ID:59532

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₃
Molecular Mass
232.27504
Exact Mass
232.10994437
Charge
0
InChI
InChI=1S/C14H16O3/c1-2-17-14-6-4-3-5-13(14)10-7-11(15)9-12(16)8-10/h3-6,9-10,15H,2,7-8H2,1H3
InChIKey
FGSUULBFIUGQEH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C1CC(=CC(=O)C1)O
Isomeric Smiles
C1=C(CC(CC1=O)c1c(cccc1)OCC)O
Calculated Properties
JChem
Acid pKa
8.674408
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2789326
LogD (pH = 7.4)
2.2567353
Log P
2.2792232
Molar Refractivity
67.2424
Polarizability
25.454603
Polar Surface Area
46.53
Rotatable Bonds
3
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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