Molecule

ID:98094

General Information
Structure
MolImage
Molecular Formula
C₂H₄F₂N₂
Molecular Mass
94.0633664
Exact Mass
94.03425458
Charge
0
InChI
InChI=1S/C2H4F2N2/c3-1(4)2(5)6/h1H,(H3,5,6)
InChIKey
RBTHHWTYEDYOBS-UHFFFAOYSA-N
Canonic Smiles
FC(C(=N)N)F
Isomeric Smiles
N=C(N)C(F)F
Calculated Properties
JChem
Acid pKa
16.832228
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5608567
LogD (pH = 7.4)
-0.5459792
Log P
-0.5457862
Molar Refractivity
27.1988
Polarizability
6.1025524
Polar Surface Area
49.87
Rotatable Bonds
1
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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