Molecule

ID:54834

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7,9-10H2
InChIKey
LVHAIJJWSYXSLW-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCCc1ccccc1
Isomeric Smiles
c1cccc(c1)CCNCCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6593756
LogD (pH = 7.4)
1.0503613
Log P
1.5932008
Molar Refractivity
53.8243
Polarizability
20.850052
Polar Surface Area
35.82
Rotatable Bonds
5
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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