Molecule

ID:50124

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-2-10-18-16-9-8-14(11-15(16)12-17)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3
InChIKey
LDPDAXLSZANBMC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C=O)c1ccccc1
Isomeric Smiles
c1(cc(ccc1OCCC)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0546327
LogD (pH = 7.4)
4.0546327
Log P
4.0546327
Molar Refractivity
73.514
Polarizability
29.441936
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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