Molecule

ID:57506

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c1-5(8)6-3-2-4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKey
LEICDYOVJNQLTN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCCO
Isomeric Smiles
N(CCCO)C(=O)C
Calculated Properties
JChem
Acid pKa
15.692748
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4367546
LogD (pH = 7.4)
-1.4367546
Log P
-1.4367546
Molar Refractivity
30.5203
Polarizability
11.806096
Polar Surface Area
49.33
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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