Molecule

ID:37274

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
BENLLRCXXCQLTC-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COc1ccccc1C(=O)O
Isomeric Smiles
c1cc(c(cc1)OCc1cc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7105582
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9224454
LogD (pH = 7.4)
0.40986302
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.52268
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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