Molecule

ID:53016

General Information
Structure
Molecular Formula
C₈H₈F₄N₂
Molecular Mass
208.1561328
Exact Mass
208.06236115
Charge
0
InChI
InChI=1S/C8H8F4N2/c1-4-2-3-5(8(10,11)12)7(14-13)6(4)9/h2-3,14H,13H2,1H3
InChIKey
JVGSQAUAPXBNAR-UHFFFAOYSA-N
Canonic Smiles
NNc1c(F)c(C)ccc1C(F)(F)F
Isomeric Smiles
c1cc(c(c(c1C(F)(F)F)NN)F)C
Calculated Properties
JChem
Acid pKa
14.329767
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8318088
LogD (pH = 7.4)
2.8964756
Log P
2.8988602
Molar Refractivity
46.996
Polarizability
15.703209
Polar Surface Area
38.05
Rotatable Bonds
2
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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