Molecule

ID:16302

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₂N₂
Molecular Mass
116.0688864
Exact Mass
116.01860451
Charge
0
InChI
InChI=1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey
JZSYSXZDIQUOGP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc(n1)F
Isomeric Smiles
c1(nc(ccn1)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2073292
LogD (pH = 7.4)
1.2073292
Log P
1.2073292
Molar Refractivity
24.817
Polarizability
8.193916
Polar Surface Area
25.78
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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