Molecule

ID:24427

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-2-13-9-6-10-14-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKey
JUKWGSHQJBRVCU-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNCc1ccccc1
Isomeric Smiles
N(CCCNCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2004476
LogD (pH = 7.4)
-2.166955
Log P
1.583959
Molar Refractivity
61.6444
Polarizability
24.497929
Polar Surface Area
24.06
Rotatable Bonds
7
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
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Molecule Details
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References
Bioactivity
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