Molecule

ID:67332

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
InChIKey
KADQKKYTJHXBSL-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc(c(c1)C)F
Isomeric Smiles
c1(c(cc(cn1)N)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9766993
LogD (pH = 7.4)
0.9767014
Log P
0.97670144
Molar Refractivity
34.8738
Polarizability
12.034394
Polar Surface Area
38.91
Rotatable Bonds
0
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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