Molecule

ID:128616

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
NJNQUTDUIPVROZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)C1CCCCC1
Isomeric Smiles
[O-][N+](=O)C1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
1.82
LogD (pH = 5.5)
1.83
Log P
1.83
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.37
Polar Surface Area
43.14
Polarizability
13.29
Molar Refractivity
32.60
LOG S
-1.78
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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