Molecule

ID:2759

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
InChIKey
QDVBKXJMLILLLB-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)C1CCNCC1
Isomeric Smiles
C1CCCCN1C1CCNCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.72
LogD (pH = 5.5)
-4.94
Log P
0.68
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.45
Polar Surface Area
15.27
Polarizability
20.45
Molar Refractivity
52.29
LOG S
-0.10
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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