Molecule

ID:80351

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
BJMLLSSSTGHJJE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C)OC(=O)c1ccc(cc1)C
Isomeric Smiles
O(C(=O)c1ccc(cc1)C)C(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8226724
LogD (pH = 7.4)
4.8226724
Log P
4.8226724
Molar Refractivity
73.5054
Polarizability
27.911154
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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