Molecule

ID:45968

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-2-3-8-6-4-7-5-6/h2,6-7H,1,3-5H2
InChIKey
CYEPCOCPXFHKSW-UHFFFAOYSA-N
Canonic Smiles
C=CCOC1CNC1
Isomeric Smiles
N1CC(C1)OCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5750198
LogD (pH = 7.4)
-1.0020642
Log P
0.37963796
Molar Refractivity
32.6008
Polarizability
13.029195
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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