Molecule

ID:22256

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c1-4-5(8)2-3-6(7)9-4/h2-3H,8H2,1H3
InChIKey
XXWLHILHNANUFH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)C)N
Isomeric Smiles
c1(c(nc(cc1)F)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5946464
LogD (pH = 7.4)
0.59465015
Log P
0.5946502
Molar Refractivity
34.4241
Polarizability
12.03323
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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