Molecule

ID:37241

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-6-2-3-7-12(11)10-18-14-9-5-4-8-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
XAXILSBUFMJVHV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COc1ccccc1C(=O)O
Isomeric Smiles
c1cc(c(cc1)OCc1ccccc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7105417
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9224297
LogD (pH = 7.4)
0.40985635
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.522985
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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