Molecule

ID:14708

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂
Molecular Mass
216.2541232
Exact Mass
216.10627665
Charge
0
InChI
InChI=1S/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChIKey
PXEUSIGXIJBZBD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNCc1ccccn1
Isomeric Smiles
c1(c(cccc1)F)CNCc1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.54234576
LogD (pH = 7.4)
2.0402355
Log P
2.2625692
Molar Refractivity
61.4559
Polarizability
23.8756
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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