Molecule

ID:9377

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₂N₂
Molecular Mass
144.1220464
Exact Mass
144.04990464
Charge
0
InChI
InChI=1S/C6H6F2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2
InChIKey
JNBRDOQHPXUXLY-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(F)ccc1F
Isomeric Smiles
c1c(F)c(cc(c1)F)NN
Calculated Properties
JChem
Acid pKa
15.357477
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5811492
LogD (pH = 7.4)
1.6493496
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.346409
Polar Surface Area
38.05
Rotatable Bonds
1
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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