Molecule

ID:32075

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
InChIKey
IEVMFAWRTJEFCF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1F)F
Isomeric Smiles
c1c(nc(c(c1)C(=O)O)F)F
Calculated Properties
JChem
Acid pKa
4.541243
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.48352176
LogD (pH = 7.4)
-1.2889156
Log P
1.4864215
Molar Refractivity
33.6195
Polarizability
11.506721
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation