Molecule

ID:90421

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKey
NNFOTEQKNPUXGR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O=C(Cc1ccc(cc1)OCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.806113
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5074215
LogD (pH = 7.4)
3.5074215
Log P
3.5074215
Molar Refractivity
71.9925
Polarizability
28.051125
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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