Molecule

ID:66740

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂
Molecular Mass
112.1050032
Exact Mass
112.04367639
Charge
0
InChI
InChI=1S/C5H5FN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
InChIKey
JSAKBYXSHKYFQU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc(c1)F
Isomeric Smiles
c1(cc(ccn1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46205258
LogD (pH = 7.4)
0.46326455
Log P
0.46328005
Molar Refractivity
29.8326
Polarizability
10.278399
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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