Molecule

ID:99962

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇N₂
Molecular Mass
224.0795424
Exact Mass
224.01844565
Charge
0
InChI
InChI=1S/C5H3F7N2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h13H,14H2
InChIKey
NSPGYANHJLMYBV-UHFFFAOYSA-N
Canonic Smiles
F/C(=C(\C(F)(F)F)/N)/C(=N)C(F)(F)F
Isomeric Smiles
FC(F)(F)/C(=C(/C(=N)C(F)(F)F)\F)/N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3781985
LogD (pH = 7.4)
1.3782067
Log P
1.3782068
Molar Refractivity
44.6834
Polarizability
11.330522
Polar Surface Area
49.87
Rotatable Bonds
3
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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