Molecule

ID:32058

General Information
Structure
Molecular Formula
C₄H₂F₂N₂
Molecular Mass
116.0688864
Exact Mass
116.01860451
Charge
0
InChI
InChI=1S/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey
MCLDVUCSDZGNRR-UHFFFAOYSA-N
Canonic Smiles
Fc1ncnc(c1)F
Isomeric Smiles
c1nc(cc(n1)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1230006
LogD (pH = 7.4)
1.1230006
Log P
1.1230006
Molar Refractivity
25.1845
Polarizability
8.192748
Polar Surface Area
25.78
Rotatable Bonds
0
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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