Molecule

ID:111993

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3
InChIKey
ZNQFZPCFVNOXJQ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C)C(=O)C
Isomeric Smiles
CN(C(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.81800395
LogD (pH = 7.4)
-0.81800395
Log P
-0.81800395
Molar Refractivity
28.9285
Polarizability
11.2685585
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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