Molecule

ID:8088

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKey
YSTSBXDVNKYPTR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
Isomeric Smiles
CC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.776595
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7357662
LogD (pH = 7.4)
2.7357662
Log P
2.7357662
Molar Refractivity
71.9998
Polarizability
28.808727
Polar Surface Area
34.14
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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