Molecule

ID:67602

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(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
InChIKey
BGMUHNGEMIPVIY-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C)N
Isomeric Smiles
Nc1c(cc(cn1)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1394879
LogD (pH = 7.4)
1.1767308
Log P
1.1772283
Molar Refractivity
34.1726
Polarizability
12.033368
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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