Molecule

ID:13690

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂
Molecular Mass
112.1050032
Exact Mass
112.04367639
Charge
0
InChI
InChI=1S/C5H5FN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKey
YTHMOBMZVVFNBE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cn1)N
Isomeric Smiles
c1(cnc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46327937
LogD (pH = 7.4)
0.46328002
Log P
0.46328005
Molar Refractivity
29.8326
Polarizability
10.282814
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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