Molecule

ID:100557

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂N₂
Molecular Mass
154.1168664
Exact Mass
154.03425458
Charge
0
InChI
InChI=1S/C7H4F2N2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2
InChIKey
SITORLJYAUMNMW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1F)F)N
Isomeric Smiles
N#Cc1c(c(c(cc1)N)F)F
Calculated Properties
JChem
Acid pKa
15.761615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2858198
LogD (pH = 7.4)
1.2858199
Log P
1.2858199
Molar Refractivity
36.9128
Polarizability
12.7872925
Polar Surface Area
49.81
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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