Molecule

ID:37265

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
DTXSRBXGJGZDTP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1cccc(c1)C(=O)O
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.8373044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0448775
LogD (pH = 7.4)
0.4661992
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.520384
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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