Molecule

ID:89105

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-16-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
IZYQCDNLUPLXOO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(=O)c1ccccc1
Isomeric Smiles
O(c1c(cccc1)OC(=O)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.47701
LogD (pH = 7.4)
3.47701
Log P
3.47701
Molar Refractivity
64.3241
Polarizability
24.99552
Polar Surface Area
35.53
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
References
Bioactivity
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