Molecule

ID:10439

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃N₂
Molecular Mass
136.0752296
Exact Mass
136.02483277
Charge
0
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKey
PYXNITNKYBLBMW-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc[nH]n1)(F)F
Isomeric Smiles
[nH]1nc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.85554
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5411267
LogD (pH = 7.4)
1.5411271
Log P
1.5411286
Molar Refractivity
25.3471
Polarizability
8.668123
Polar Surface Area
28.68
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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