Molecule

ID:57527

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2,4-8H2
InChIKey
DNHBZJPTXSALLZ-UHFFFAOYSA-N
Canonic Smiles
N#CCCCN1CCOCC1
Isomeric Smiles
N#CCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.2133876
LogD (pH = 7.4)
-0.049747422
Log P
0.03327513
Molar Refractivity
43.5809
Polarizability
16.800053
Polar Surface Area
36.26
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
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References
Bioactivity
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