Molecule

ID:69054

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
InChIKey
CGPIFQOTBHKPNM-UHFFFAOYSA-N
Canonic Smiles
NCC1(O)CCOCC1
Isomeric Smiles
C1CC(CCO1)(O)CN
Calculated Properties
JChem
Acid pKa
14.279656
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.4307146
LogD (pH = 7.4)
-3.6041758
Log P
-1.4306061
Molar Refractivity
34.5762
Polarizability
13.90578
Polar Surface Area
55.48
Rotatable Bonds
1
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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