Molecule

ID:13361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKey
WGHBKYWUOOANEX-UHFFFAOYSA-N
Canonic Smiles
NCCCN(c1ccccc1)C
Isomeric Smiles
c1cccc(c1)N(CCCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7427517
LogD (pH = 7.4)
-0.98152876
Log P
1.3442656
Molar Refractivity
53.3018
Polarizability
20.40045
Polar Surface Area
29.26
Rotatable Bonds
4
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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