Molecule

ID:10606

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₇N₂
Molecular Mass
286.1489224
Exact Mass
286.03409571
Charge
0
InChI
InChI=1S/C10H5F7N2/c11-8(12,9(13,14)10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H,(H,18,19)
InChIKey
VZEYKZFVOPCTLV-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1nc2c([nH]1)cccc2)(F)F)(C(F)(F)F)F
Isomeric Smiles
c1ccc2c(c1)nc([nH]2)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
9.947327
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9110713
LogD (pH = 7.4)
3.9150393
Log P
3.9161828
Molar Refractivity
49.7554
Polarizability
19.058693
Polar Surface Area
28.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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