Molecule

ID:9925

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKey
XJHGAJLIKDAOPE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COc1ccc(cc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.930511
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6014951
LogD (pH = 7.4)
-0.019765086
Log P
3.177796
Molar Refractivity
68.4414
Polarizability
26.623795
Polar Surface Area
46.53
Rotatable Bonds
5
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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