Molecule

ID:117145

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂
Molecular Mass
166.26332
Exact Mass
166.14699859
Charge
0
InChI
InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-2,4-5,7-11H2
InChIKey
GUBHQQXIKPHEAO-UHFFFAOYSA-N
Canonic Smiles
NCC#CCN1CCCCCC1
Isomeric Smiles
C(#CCN)CN1CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.843802
LogD (pH = 7.4)
-1.8439146
Log P
1.1619644
Molar Refractivity
53.2443
Polarizability
20.39807
Polar Surface Area
29.26
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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