Molecule

ID:35669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₄
Molecular Mass
221.20934
Exact Mass
221.06880784
Charge
0
InChI
InChI=1S/C11H11NO4/c1-7-11(15)12(6-10(13)14)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
OYCNLQKASIVMDG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)C(C)Oc2c1cccc2
Isomeric Smiles
N1(C(=O)C(Oc2c1cccc2)C)CC(=O)O
Calculated Properties
JChem
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
3.6295555
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2014104
LogD (pH = 7.4)
-2.6670685
Log P
0.66542757
Molar Refractivity
54.5195
Polarizability
21.267736
Polar Surface Area
66.84
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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