Molecule

ID:83783

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3
InChIKey
GUNGQVJAKLIYDG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1O)OC)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
8.104903
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0780196
LogD (pH = 7.4)
4.0015435
Log P
4.0790887
Molar Refractivity
75.3211
Polarizability
28.45606
Polar Surface Area
46.53
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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