Molecule

ID:44798

General Information
Structure
Molecular Formula
C₁₁H₉NO₄
Molecular Mass
219.19346
Exact Mass
219.05315777
Charge
0
InChI
InChI=1S/C11H9NO4/c1-16-9(13)6-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChIKey
JINKRJDUNDRREU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.54097646
LogD (pH = 7.4)
0.54097646
Log P
0.54097646
Molar Refractivity
55.0652
Polarizability
20.517666
Polar Surface Area
63.68
Rotatable Bonds
3
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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