Molecule

ID:24359

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h8,10H,1-3,5-7H2
InChIKey
ZSKZHSOMHSHFDF-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCC1CCCO1
Isomeric Smiles
N#CCCNCC1OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0435534
LogD (pH = 7.4)
-0.39323044
Log P
-0.001344532
Molar Refractivity
42.7114
Polarizability
16.800053
Polar Surface Area
45.05
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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