Molecule

ID:24280

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-10-7-3-6-9-5-2-4-8/h9H,2-3,5-7H2,1H3
InChIKey
JNBKAIIIDBPNCV-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCC#N
Isomeric Smiles
N#CCCNCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8298683
LogD (pH = 7.4)
-1.0974832
Log P
-0.40694934
Molar Refractivity
40.3656
Polarizability
15.68539
Polar Surface Area
45.05
Rotatable Bonds
6
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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