Molecule

ID:88335

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey
KTOBUCHVPBPHMK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(n1)C(=O)OCC
Isomeric Smiles
n1c(cccc1C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8478296
LogD (pH = 7.4)
1.8478436
Log P
1.8478439
Molar Refractivity
56.7049
Polarizability
22.02558
Polar Surface Area
65.49
Rotatable Bonds
6
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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