Molecule

ID:8317

General Information
Structure
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKey
GZRGHDIUPMPHCB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(Oc2ccc(cc2)C(=O)C)cc1)C
Calculated Properties
JChem
Acid pKa
15.906179
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.588828
LogD (pH = 7.4)
2.588828
Log P
2.588828
Molar Refractivity
73.1044
Polarizability
28.121946
Polar Surface Area
43.37
Rotatable Bonds
4
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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