Molecule

ID:118293

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3
InChIKey
YYQGIBVMSBPIEC-UHFFFAOYSA-N
Canonic Smiles
CNCC1COCCO1
Isomeric Smiles
O1C(COCC1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5864053
LogD (pH = 7.4)
-2.5800471
Log P
-0.39858738
Molar Refractivity
34.4816
Polarizability
13.976185
Polar Surface Area
30.49
Rotatable Bonds
2
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
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References
Bioactivity
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