Molecule

ID:10421

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀N₂
Molecular Mass
144.2578
Exact Mass
144.16264865
Charge
0
InChI
InChI=1S/C8H20N2/c1-3-5-7-10(4-2)8-6-9/h3-9H2,1-2H3
InChIKey
ZLXMDIPUMLDZDQ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCN)CC
Isomeric Smiles
NCCN(CCCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7033005
LogD (pH = 7.4)
-1.4899844
Log P
1.0738926
Molar Refractivity
46.5601
Polarizability
18.552586
Polar Surface Area
29.26
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
No Data Available
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Molecule Details
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References
Bioactivity
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