Molecule

ID:110796

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKey
FEYJIFXFOHFGCC-UHFFFAOYSA-N
Canonic Smiles
CCCCCC[N+](=O)[O-]
Isomeric Smiles
CCCCCC[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
2.24
LogD (pH = 5.5)
2.24
Log P
2.24
Rotatable Bonds
5
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.45
Polar Surface Area
43.14
Polarizability
14.58
Molar Refractivity
34.66
LOG S
-2.38
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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