Molecule

ID:78668

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-18-13-10-6-5-9-12(13)15-16(19-15)14(17)11-7-3-2-4-8-11/h2-10,15-16H,1H3
InChIKey
GDSJIKXMXQGWCB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1OC1C(=O)c1ccccc1
Isomeric Smiles
O1C(C1c1c(cccc1)OC)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.439412
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.023772
LogD (pH = 7.4)
3.023772
Log P
3.023772
Molar Refractivity
71.4365
Polarizability
27.97119
Polar Surface Area
38.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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