Molecule

ID:63570

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKey
AYZDRTRWCASUFO-UHFFFAOYSA-N
Canonic Smiles
CCc1ncncc1F
Isomeric Smiles
c1(c(ncnc1)CC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.024331
LogD (pH = 7.4)
1.0243433
Log P
1.0243434
Molar Refractivity
32.1571
Polarizability
11.855529
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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