Molecule
ID:33664
General Information
Molecular Formula
C₅H₆F₂N₂
Molecular Mass
132.1113464
Exact Mass
132.04990464
Charge
0
InChI
InChI=1S/C5H6F2N2/c1-3-2-4(5(6)7)9-8-3/h2,5H,1H3,(H,8,9)
InChIKey
QPGWGHWOAIFIPR-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc([nH]n1)C)F
Isomeric Smiles
c1(n[nH]c(c1)C)C(F)F
Calculated Properties
JChem
Acid pKa
13.435267
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0230128
LogD (pH = 7.4)
1.0230349
Log P
1.0230353
Molar Refractivity
29.6254
Polarizability
10.372641
Polar Surface Area
28.68
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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