Molecule

ID:89585

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-17-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)18-2/h3-10H,1-2H3
InChIKey
YJOVQAHQGZBWIU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)C(=O)OC
Isomeric Smiles
O(C(=O)c1ccc(cc1)c1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.466277
LogD (pH = 7.4)
3.466277
Log P
3.466277
Molar Refractivity
69.6827
Polarizability
28.232227
Polar Surface Area
35.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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