Molecule

ID:47585

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3
InChIKey
YNAKESQZGPZDDZ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1N)CC
Isomeric Smiles
c1(N(CC)CC)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6732179
LogD (pH = 7.4)
1.9607444
Log P
1.9659796
Molar Refractivity
54.6842
Polarizability
19.997786
Polar Surface Area
29.26
Rotatable Bonds
3
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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