Molecule

ID:35664

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
InChIKey
FJZQUYGOKRVORO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)NCc1ccccc1
Isomeric Smiles
n1c(NCc2ccccc2)cccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0672088
LogD (pH = 7.4)
2.4006348
Log P
2.6786523
Molar Refractivity
63.6125
Polarizability
23.804792
Polar Surface Area
24.92
Rotatable Bonds
3
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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