Molecule

ID:74278

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
IKFGSOJYHVTNDV-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)C(=O)CC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.857971
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7982311
LogD (pH = 7.4)
3.7982311
Log P
3.7982311
Molar Refractivity
72.1635
Polarizability
28.031494
Polar Surface Area
26.3
Rotatable Bonds
5
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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