Molecule
ID:94249
General Information
Molecular Formula
C₆H₆F₂N₂
Molecular Mass
144.1220464
Exact Mass
144.04990464
Charge
0
InChI
InChI=1S/C6H6F2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2
InChIKey
IPCPEQXQGSGYCE-UHFFFAOYSA-N
Canonic Smiles
NNc1c(F)cccc1F
Isomeric Smiles
N(c1c(cccc1F)F)N
Calculated Properties
JChem
Acid pKa
13.029381
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6090636
LogD (pH = 7.4)
1.6497471
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.347007
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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