Molecule

ID:73537

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-2-17-14(16)13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKey
YACNOKOTOHNDBU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1cccc2c1cccc2
Isomeric Smiles
O=C(c1c2c(ccc1)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2159996
LogD (pH = 7.4)
3.2159996
Log P
3.2159996
Molar Refractivity
64.2236
Polarizability
26.022253
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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