Molecule

ID:15892

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-19-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey
KWUCZNSUDWCGNG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCc1ccccc1C(=O)O
Isomeric Smiles
c1cc(c(cc1)CCc1c(cccc1)C(=O)O)OC
Calculated Properties
JChem
Acid pKa
3.9045124
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.408174
LogD (pH = 7.4)
0.7982661
Log P
4.00952
Molar Refractivity
74.1156
Polarizability
28.291468
Polar Surface Area
46.53
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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