Molecule

ID:63940

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2
InChIKey
GGYZOSLAJSUXRM-UHFFFAOYSA-N
Canonic Smiles
NCC1(CO)COC1
Isomeric Smiles
C1OCC1(CN)CO
Calculated Properties
JChem
Acid pKa
14.930825
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.6614113
LogD (pH = 7.4)
-3.6481075
Log P
-1.6837647
Molar Refractivity
29.8751
Polarizability
12.073888
Polar Surface Area
55.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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