Molecule

ID:136177

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
120.1556289
Exact Mass
120.09166355
Charge
0
InChI
InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3/i6+1
InChIKey
CRVGTESFCCXCTH-PTQBSOBMSA-N
Canonic Smiles
OCC[15N](CCO)C
Isomeric Smiles
C[15N](CCO)CCO
Calculated Properties
JChem
Acid pKa
15.292618
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.211487
LogD (pH = 7.4)
-2.5045085
Log P
-1.1900345
Molar Refractivity
32.5727
Polarizability
12.719586
Polar Surface Area
43.7
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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