Molecule

ID:69944

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
InChIKey
LCEDQNDDFOCWGG-UHFFFAOYSA-N
Canonic Smiles
O=CN1CCOCC1
Isomeric Smiles
N1(CCOCC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.85013545
LogD (pH = 7.4)
-0.8501354
Log P
-0.8501354
Molar Refractivity
28.8433
Polarizability
11.166473
Polar Surface Area
29.54
Rotatable Bonds
0
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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