Molecule
ID:68021
General Information
Molecular Formula
C₄H₃F₃N₂
Molecular Mass
136.0752296
Exact Mass
136.02483277
Charge
0
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey
DFLGRTIPTPCKPJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc[nH]c1)(F)F
Isomeric Smiles
c1nc(c[nH]1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.573368
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0957911
LogD (pH = 7.4)
1.1181518
Log P
1.1184746
Molar Refractivity
24.6145
Polarizability
8.67284
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...