Molecule

ID:111792

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2
InChIKey
GOXNUYXRIQJIEF-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCOC1=O
Isomeric Smiles
OCCN1CCOC1=O
Calculated Properties
JChem
Acid pKa
15.569796
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.825272
LogD (pH = 7.4)
-0.825272
Log P
-0.825272
Molar Refractivity
30.2062
Polarizability
11.859019
Polar Surface Area
49.77
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
No Data Available
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Molecule Details
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References
Bioactivity
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