Molecule

ID:13176

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10,15H,9,11H2
InChIKey
COHYOBKZKMKMIX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
c1cccc(c1)CNCc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.87561095
LogD (pH = 7.4)
0.7349636
Log P
2.0383954
Molar Refractivity
61.7617
Polarizability
24.2862
Polar Surface Area
24.92
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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