Molecule

ID:11219

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,12H2
InChIKey
OYECAJPUPWFCSL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCCCC1
Isomeric Smiles
N1(c2c(N)cccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9197046
LogD (pH = 7.4)
2.0998716
Log P
2.1027298
Molar Refractivity
57.329
Polarizability
21.105032
Polar Surface Area
29.26
Rotatable Bonds
1
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
References
Bioactivity
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