Molecule

ID:91056

General Information
Structure
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Molecular Formula
C₆H₁₅NO₂
Molecular Mass
133.1888
Exact Mass
133.11027873
Charge
0
InChI
InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3
InChIKey
HJKLEAOXCZIMPI-UHFFFAOYSA-N
Canonic Smiles
NCC(OCC)OCC
Isomeric Smiles
NCC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4954565
LogD (pH = 7.4)
-1.0112424
Log P
0.3200841
Molar Refractivity
36.2406
Polarizability
14.696601
Polar Surface Area
44.48
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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