Molecule

ID:72120

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₄
Molecular Mass
232.23198
Exact Mass
232.07355886
Charge
0
InChI
InChI=1S/C13H12O4/c1-3-5-16-11-7-9(13(14)15-2)8-12-10(11)4-6-17-12/h3-4,6-8H,1,5H2,2H3
InChIKey
RDCNCRNVBIISCP-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1cc(cc2c1cco2)C(=O)OC
Isomeric Smiles
c12c(cc(C(=O)OC)cc1OCC=C)occ2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7094247
LogD (pH = 7.4)
2.7094247
Log P
2.7094247
Molar Refractivity
62.5503
Polarizability
25.087143
Polar Surface Area
48.67
Rotatable Bonds
5
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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