Molecule

ID:109537

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-11H2
InChIKey
LRKYLKBLUJXTFL-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CN1CCCCC1
Isomeric Smiles
C1CCN(CC1)CN1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.6805711
LogD (pH = 7.4)
1.2253695
Log P
2.0196471
Molar Refractivity
57.1007
Polarizability
22.610828
Polar Surface Area
6.48
Rotatable Bonds
2
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
References
Bioactivity
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