Molecule

ID:71608

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3
InChIKey
HHIOOBJZIASBFF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(N)C
Isomeric Smiles
C(=O)(CC(N)C)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9811354
LogD (pH = 7.4)
-2.0587025
Log P
0.008814215
Molar Refractivity
34.6393
Polarizability
14.082125
Polar Surface Area
52.32
Rotatable Bonds
4
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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