Molecule

ID:9908

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
NCOFQZRLIYPMNJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1ccccc1
Isomeric Smiles
c1cc(cc(c1OCc1ccccc1)OCC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4516866
LogD (pH = 7.4)
3.4516866
Log P
3.4516866
Molar Refractivity
74.9296
Polarizability
28.690313
Polar Surface Area
35.53
Rotatable Bonds
6
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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