Molecule

ID:35803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₅
Molecular Mass
237.20874
Exact Mass
237.06372246
Charge
0
InChI
InChI=1S/C11H11NO5/c1-2-17-11(16)9(13)12-8-6-4-3-5-7(8)10(14)15/h3-6H,2H2,1H3,(H,12,13)(H,14,15)
InChIKey
MYXIPVXKCGHPIQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccccc1C(=O)O
Isomeric Smiles
c1(c(NC(=O)C(=O)OCC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5377316
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.25879496
LogD (pH = 7.4)
-1.1498119
Log P
2.2141685
Molar Refractivity
59.4898
Polarizability
22.10696
Polar Surface Area
92.7
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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