Molecule

ID:58566

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2
InChIKey
PXAFOQOPSOGIFE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)OCO2)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)c1ccc2c(c1)OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0558324
LogD (pH = 7.4)
3.0558324
Log P
3.0558324
Molar Refractivity
62.4004
Polarizability
24.436527
Polar Surface Area
35.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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