Molecule

ID:37256

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-4-2-3-5-13(11)10-18-14-8-6-12(7-9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
YBAKJGNELKZYKS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COc1ccc(cc1)C(=O)O
Isomeric Smiles
c1cc(ccc1OCc1ccccc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.356317
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.539025
LogD (pH = 7.4)
0.78976536
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.520191
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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