Molecule

ID:101178

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂
Molecular Mass
140.1581632
Exact Mass
140.07497652
Charge
0
InChI
InChI=1S/C7H9FN2/c1-9-5-7-6(8)3-2-4-10-7/h2-4,9H,5H2,1H3
InChIKey
CRJRGUJNAQPYJG-UHFFFAOYSA-N
Canonic Smiles
CNCc1ncccc1F
Isomeric Smiles
c1(ncccc1F)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6667866
LogD (pH = 7.4)
0.03241923
Log P
0.5380961
Molar Refractivity
36.8433
Polarizability
14.299817
Polar Surface Area
24.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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