Molecule

ID:69916

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₅
Molecular Mass
239.22462
Exact Mass
239.07937252
Charge
0
InChI
InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKey
GNIDSOFZAKMQAO-VIFPVBQESA-N
Canonic Smiles
OC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Isomeric Smiles
C(=O)([C@@H](NC(=O)OCc1ccccc1)CO)O
Calculated Properties
JChem
Acid pKa
3.5838287
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.3739644
LogD (pH = 7.4)
-2.8116252
Log P
0.53698957
Molar Refractivity
57.721
Polarizability
22.675972
Polar Surface Area
95.86
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
References
Bioactivity
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