Molecule

ID:72202

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C5H13NO2/c1-5(8)4-6-2-3-7/h5-8H,2-4H2,1H3
InChIKey
GBAXGHVGQJHFQL-UHFFFAOYSA-N
Canonic Smiles
OCCNCC(O)C
Isomeric Smiles
N(CC(O)C)CCO
Calculated Properties
JChem
Acid pKa
15.121693
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.312501
LogD (pH = 7.4)
-3.1377065
Log P
-1.1565075
Molar Refractivity
31.6968
Polarizability
12.719586
Polar Surface Area
52.49
Rotatable Bonds
4
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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