Molecule

ID:28677

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3
InChIKey
HZGRTGMOAWUAAA-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1)C)N
Isomeric Smiles
c1(cc(c(cn1)N)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9766977
LogD (pH = 7.4)
0.9767014
Log P
0.97670144
Molar Refractivity
34.8738
Polarizability
12.031668
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
References
Bioactivity
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