Molecule

ID:16964

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h10-11H,1-9H2
InChIKey
DJMGCHHOJIKYCP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CN1CCCC1
Isomeric Smiles
N1(CC2CNCCC2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.518945
LogD (pH = 7.4)
-3.5383081
Log P
0.7418826
Molar Refractivity
52.4047
Polarizability
20.7646
Polar Surface Area
15.27
Rotatable Bonds
2
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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