Molecule
ID:38354
General Information
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChIKey
UDPPKJDEENEJQG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)nc(c1)F
Isomeric Smiles
c1c(nc(cc1C(=O)O)F)F
Calculated Properties
JChem
Acid pKa
3.5194623
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.48653445
LogD (pH = 7.4)
-1.8830599
Log P
1.4864215
Molar Refractivity
33.6195
Polarizability
11.506374
Polar Surface Area
50.19
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...