Molecule

ID:85612

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
InChIKey
ZSXGLVDWWRXATF-UHFFFAOYSA-N
Canonic Smiles
COC(N(C)C)OC
Isomeric Smiles
N(C(OC)OC)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.81
LogD (pH = 5.5)
0.74
Log P
0.81
Rotatable Bonds
3
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.71
Polar Surface Area
21.70
Polarizability
13.14
Molar Refractivity
32.31
LOG S
0.79
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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