Molecule

ID:38180

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-3-4-1-5(8)6-2-4/h4,7H,1-3H2,(H,6,8)
InChIKey
KTOFYLXSANIPND-UHFFFAOYSA-N
Canonic Smiles
OCC1CNC(=O)C1
Isomeric Smiles
C1(CC(=O)NC1)CO
Calculated Properties
JChem
Acid pKa
14.430484
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6097585
LogD (pH = 7.4)
-1.6097584
Log P
-1.6097584
Molar Refractivity
28.5594
Polarizability
11.098675
Polar Surface Area
49.33
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
References
Bioactivity
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