Molecule

ID:16969

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₄
Molecular Mass
159.13996
Exact Mass
159.05315777
Charge
0
InChI
InChI=1S/C6H9NO4/c8-5(9)3-7-1-2-11-6(10)4-7/h1-4H2,(H,8,9)
InChIKey
RCYMJALINOFPDJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCOC(=O)C1
Isomeric Smiles
N1(CC(=O)OCC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.5182898
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5953703
LogD (pH = 7.4)
-4.133112
Log P
-1.6924098
Molar Refractivity
34.9574
Polarizability
14.030344
Polar Surface Area
66.84
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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