Molecule

ID:54065

General Information
Structure
Molecular Formula
C₆H₆F₂N₂
Molecular Mass
144.1220464
Exact Mass
144.04990464
Charge
0
InChI
InChI=1S/C6H6F2N2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
InChIKey
RLZUIPTYDYCNQI-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1F)F
Isomeric Smiles
c1c(cc(c(c1)NN)F)F
Calculated Properties
JChem
Acid pKa
16.809517
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5664967
LogD (pH = 7.4)
1.6490732
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.345819
Polar Surface Area
38.05
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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