Molecule
ID:32926
General Information
Molecular Formula
C₇H₈F₂N₂
Molecular Mass
158.1486264
Exact Mass
158.06555471
Charge
0
InChI
InChI=1S/C7H8F2N2/c1-5-6(7(2,8)9)11-4-3-10-5/h3-4H,1-2H3
InChIKey
HAANCFJYPUAOQO-UHFFFAOYSA-N
Canonic Smiles
Cc1nccnc1C(F)(F)C
Isomeric Smiles
c1(c(nccn1)C)C(C)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.69226515
LogD (pH = 7.4)
0.69227207
Log P
0.6922722
Molar Refractivity
36.0695
Polarizability
13.529854
Polar Surface Area
25.78
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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