Molecule

ID:35640

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-5,12H,6-8,11H2,1H3
InChIKey
WJKMFHVWDDNEQN-UHFFFAOYSA-N
Canonic Smiles
NCCNCc1ccccc1C
Isomeric Smiles
c1(c(C)cccc1)CNCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.326613
LogD (pH = 7.4)
-1.1132954
Log P
1.2480322
Molar Refractivity
52.297
Polarizability
20.722307
Polar Surface Area
38.05
Rotatable Bonds
4
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
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References
Bioactivity
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