Molecule

ID:18442

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂
Molecular Mass
112.1050032
Exact Mass
112.04367639
Charge
0
InChI
InChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey
UFIKBUVVVGSMGW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1F
Isomeric Smiles
c1cncc(c1N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69789296
LogD (pH = 7.4)
0.013770404
Log P
0.06934937
Molar Refractivity
28.8179
Polarizability
10.279773
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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