Molecule

ID:71646

General Information
Structure
MolImage
Molecular Formula
C₂HF₃N₄
Molecular Mass
138.0513496
Exact Mass
138.01533071
Charge
0
InChI
InChI=1S/C2HF3N4/c3-2(4,5)1-6-8-9-7-1/h(H,6,7,8,9)
InChIKey
FOEPLOQMUWYHBM-UHFFFAOYSA-N
Canonic Smiles
FC(c1n[nH]nn1)(F)F
Isomeric Smiles
[nH]1nc(nn1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
5.94899
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1211215
LogD (pH = 7.4)
-1.1272361
Log P
0.484429
Molar Refractivity
23.7695
Polarizability
7.3564606
Polar Surface Area
54.46
Rotatable Bonds
1
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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