Molecule

ID:82037

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKey
OKAQJPKEOQHKKY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(=O)CC(=O)c1ccccc1)O
Isomeric Smiles
O=C(c1c(ccc(c1)C)O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.576141
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0371804
LogD (pH = 7.4)
4.0343356
Log P
4.0372167
Molar Refractivity
73.6441
Polarizability
27.91839
Polar Surface Area
54.37
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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