Molecule

ID:53520

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₂
Molecular Mass
133.1888
Exact Mass
133.11027873
Charge
0
InChI
InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
InChIKey
FBZVZUSVGKOWHG-UHFFFAOYSA-N
Canonic Smiles
COC(N(C)C)(OC)C
Isomeric Smiles
C(N(C)C)(OC)(OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.93746215
LogD (pH = 7.4)
1.0579388
Log P
1.0597129
Molar Refractivity
37.164
Polarizability
14.696601
Polar Surface Area
21.7
Rotatable Bonds
3
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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