Molecule

ID:37264

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
GQDITHZKLNZHHU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(OCc2ccc(cc2)C)cc1)O
Calculated Properties
JChem
Acid pKa
4.3563313
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5390382
LogD (pH = 7.4)
0.7897761
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.519842
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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