Molecule

ID:65159

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKey
RYICOVXDBBDCNT-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)cnc1
Isomeric Smiles
c1(cncc(c1)CN)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8811002
LogD (pH = 7.4)
-1.5687972
Log P
0.024043761
Molar Refractivity
32.5909
Polarizability
12.46718
Polar Surface Area
38.91
Rotatable Bonds
1
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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