Molecule

ID:15527

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-6-2-4-8-5-3-6/h6-7H,2-5H2,1H3
InChIKey
WGYZZCUTSHNMET-UHFFFAOYSA-N
Canonic Smiles
CNC1CCOCC1
Isomeric Smiles
N(C1CCOCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4639115
LogD (pH = 7.4)
-3.024796
Log P
-0.23169237
Molar Refractivity
33.1689
Polarizability
13.269628
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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